UCSF

ZINC36890203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 1.94 1.02 -7.5 2 3 0 52 230.189 3
Mid Mid (pH 6-8) 1.94 1.36 -44.74 3 3 1 54 231.197 3

Activity (Go SEA)

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