UCSF

ZINC53130987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) -1.24 3.43 -47.7 3 3 1 53 200.265 3
Mid Mid (pH 6-8) -1.24 3.18 -6.94 2 3 0 52 199.257 3

Activity (Go SEA)

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