UCSF

ZINC49580905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 25 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) 3.78 8.33 -52.76 4 4 1 61 340.422 7
Hi High (pH 8-9.5) 3.78 7.24 -14.38 3 4 0 57 339.414 7

Activity (Go SEA)

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