UCSF

ZINC41198813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 2.86 7.67 -35.11 2 2 1 29 271.409 3
Hi High (pH 8-9.5) 2.86 7.19 -5.19 1 2 0 25 270.401 3

Activity (Go SEA)

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