UCSF

ZINC40526164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 23 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) -0.18 0.53 -55.98 3 6 1 88 316.333 0
Mid Mid (pH 6-8) -0.18 -1.13 -13.76 2 6 0 87 315.325 0

Activity (Go SEA)

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