UCSF

ZINC19408932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 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) 1.13 5.13 -88.56 4 4 2 50 255.406 5
Hi High (pH 8-9.5) 1.13 3.84 -43.76 3 4 1 46 254.398 5

Activity (Go SEA)

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