UCSF

ZINC32108508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 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) 0.38 1.74 -39.73 3 5 1 65 256.322 9
Hi High (pH 8-9.5) 0.38 0.32 -7.89 2 5 0 60 255.314 9

Activity (Go SEA)

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