UCSF

ZINC41685076

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.74 4.19 -12.54 3 6 0 94 277.324 7
Mid Mid (pH 6-8) 0.74 4.53 -29.96 4 6 1 96 278.332 7

Activity (Go SEA)

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