UCSF

ZINC04720505

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 31 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) 6.97 16.53 -15.3 1 5 0 56 421.585 10
Mid Mid (pH 6-8) 6.97 16.87 -29.1 2 5 1 57 422.593 10

Activity (Go SEA)

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