UCSF

ZINC45974118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 32 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) 3.94 11.58 -37.63 1 6 1 57 430.528 8
Mid Mid (pH 6-8) 3.94 11.18 -16.3 0 6 0 56 429.52 8

Activity (Go SEA)

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