UCSF

ZINC45351623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 2.66 13.07 -88.52 4 6 2 62 382.556 5
Mid Mid (pH 6-8) 2.66 13.39 -161.36 5 6 3 63 383.564 5

Activity (Go SEA)

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