UCSF

ZINC20652727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 24 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) 4.15 10.86 -37.15 1 3 1 17 325.476 7
Hi High (pH 8-9.5) 4.15 8.4 -5.34 0 3 0 16 324.468 7
Mid Mid (pH 6-8) 4.15 10.72 -38.89 1 3 1 17 325.476 7

Activity (Go SEA)

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