UCSF

ZINC29547091

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 31 No

Popular Name: (4S,4aR,5aS,12aR)-9-amino-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro (4S,4aR,5aS,12aR)-9-amino-4-(dim…

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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) -0.61 1.66 -115.51 7 10 -1 194 428.421 2 ↓
Hi High (pH 8-9.5) -1.06 -0.33 -141.49 6 10 -2 193 427.413 2 ↓
Hi High (pH 8-9.5) -1.06 0.67 -240.42 5 10 -3 196 426.405 2 ↓
Mid Mid (pH 6-8) -1.64 1.61 -75.04 7 10 0 188 429.429 2 ↓
Mid Mid (pH 6-8) -1.64 2.27 -131.48 6 10 -1 191 428.421 2 ↓
Mid Mid (pH 6-8) -1.64 1.82 -101.58 6 10 -1 191 428.421 2 ↓
Mid Mid (pH 6-8) -1.06 1.17 -124.44 7 10 -1 194 428.421 2 ↓

Activity (Go SEA)

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