UCSF

ZINC06105463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 30 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) 4.65 15.23 -9.67 0 6 0 62 400.482 5
Mid Mid (pH 6-8) 4.65 15.74 -46.4 1 6 1 63 401.49 5

Activity (Go SEA)

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