UCSF

ZINC28763832

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 21 No

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) -0.28 -1.95 -46.22 1 9 -1 113 324.331 3
Mid Mid (pH 6-8) -0.28 -2.62 -14.94 2 9 0 116 325.339 3

Activity (Go SEA)

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