UCSF

ZINC42560840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.61 3.96 -36.89 3 3 1 46 227.353 4
Hi High (pH 8-9.5) 1.61 2.95 -10.07 2 3 0 41 226.345 4

Activity (Go SEA)

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