UCSF

ZINC12535176

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 20 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) 1.89 4.86 -18.32 2 5 0 71 262.272 2
Hi High (pH 8-9.5) 1.89 4.95 -46.8 1 5 -1 69 261.264 2

Activity (Go SEA)

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