UCSF

ZINC13065773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 28 No

Popular Name: (4Z,5S)-1-(2-dimethylaminoethyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(5-methyl-2-furyl)pyrr (4Z,5S)-1-(2-dimethylaminoethyl)…

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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) 2.71 10.58 -75.5 1 6 0 78 382.46 6 ↓
Hi High (pH 8-9.5) 2.71 8.04 -61.66 0 6 -1 77 381.452 6 ↓
Mid Mid (pH 6-8) 2.13 10.76 -55.22 1 6 1 72 383.468 6 ↓
Mid Mid (pH 6-8) 2.71 10.08 -44.21 2 6 1 75 383.468 6 ↓

Activity (Go SEA)

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