UCSF

ZINC43562156

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 33 Yes

Popular Name: 1-N-Aethylsisomicin; 1-N-Ethylsisomicin; BRN 5316582; C21H41N5O7; D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl(1-4))-2-deoxy-N(sup 1)-ethyl-; D-Strept 1-N-Aethylsisomicin; 1-N-Ethylsi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.70 -7.92 -271.2 15 12 4 212 479.619 8 ↓
Hi High (pH 8-9.5) -3.70 -10.71 -49.51 12 12 1 201 476.595 8 ↓
Hi High (pH 8-9.5) -3.70 -9.83 -44.29 12 12 1 204 476.595 8 ↓
Hi High (pH 8-9.5) -3.70 -11.01 -7.15 11 12 0 200 475.587 8 ↓
Hi High (pH 8-9.5) -3.70 -9.34 -124.64 13 12 2 206 477.603 8 ↓
Mid Mid (pH 6-8) -3.70 -7.56 -403.01 16 12 5 214 480.627 8 ↓
Mid Mid (pH 6-8) -3.70 -7.94 -296.7 15 12 4 212 479.619 8 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )