UCSF

ZINC02601763

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 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) 3.11 -0.08 -8.43 1 4 0 46 271.364 5
Mid Mid (pH 6-8) -0.29 0.13 -29.95 2 4 1 48 272.372 5

Activity (Go SEA)

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