UCSF

ZINC44647956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) 3.06 6.63 -48.42 3 4 1 59 292.79 5
Hi High (pH 8-9.5) 3.06 5.29 -10.94 2 4 0 54 291.782 5

Activity (Go SEA)

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