UCSF

ZINC34962846

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 8 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) -0.57 1.85 -46.84 2 3 1 43 116.14 0
Mid Mid (pH 6-8) -0.57 0.6 -5.67 1 3 0 38 115.132 0

Activity (Go SEA)

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