UCSF

ZINC40062897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 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) 3.12 12.94 -90.69 2 5 2 42 380.536 5
Mid Mid (pH 6-8) 3.12 12.64 -51.29 1 5 1 41 379.528 5

Activity (Go SEA)

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