UCSF

ZINC44648745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 0.21 1.19 -48.46 5 5 1 89 236.295 6
Hi High (pH 8-9.5) 0.21 -0.17 -16.23 4 5 0 84 235.287 6

Activity (Go SEA)

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