UCSF

ZINC45659440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) -0.34 7.12 -46.11 2 4 0 57 262.353 5
Mid Mid (pH 6-8) -0.34 5.86 -28.41 2 4 0 60 262.353 5

Activity (Go SEA)

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