UCSF

ZINC52295205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) -0.25 -0.25 -52.03 3 5 1 66 220.318 3
Mid Mid (pH 6-8) -0.25 -1.48 -7.96 2 5 0 61 219.31 3

Activity (Go SEA)

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