UCSF

ZINC43260441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 No

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) 3.34 9.85 -47.89 0 4 -1 74 277.34 7
Lo Low (pH 4.5-6) 3.34 7.87 -9.73 1 4 0 71 278.348 7

Activity (Go SEA)

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