UCSF

ZINC39133157

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 21 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) 4.05 7.56 -78.7 5 3 2 54 307.869 9
Hi High (pH 8-9.5) 4.05 7.15 -47.05 4 3 1 53 306.861 9

Activity (Go SEA)

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