UCSF

ZINC52304152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) -0.56 3.54 -53.89 3 4 1 58 203.269 4
Hi High (pH 8-9.5) -0.56 3.15 -10.41 2 4 0 57 202.261 4
Mid Mid (pH 6-8) -0.56 3.72 -105.48 4 4 2 60 204.277 4

Activity (Go SEA)

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