UCSF

ZINC34419503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 11 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) -0.64 1.1 -27.13 5 5 1 88 155.181 2
Mid Mid (pH 6-8) -0.64 0.6 -6.96 4 5 0 87 154.173 2

Activity (Go SEA)

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