UCSF

ZINC42591237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.74 5.39 -40.73 3 4 1 57 243.371 6
Hi High (pH 8-9.5) 1.74 5.27 -6.87 2 4 0 56 242.363 6

Activity (Go SEA)

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