UCSF

ZINC52570548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 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) 2.68 9.72 -95.05 3 3 2 34 274.408 8
Hi High (pH 8-9.5) 2.68 7.12 -38.87 2 3 1 33 273.4 8

Activity (Go SEA)

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