UCSF

ZINC42822571

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) -0.35 -0.8 -6.36 3 7 0 100 226.236 3
Hi High (pH 8-9.5) 0.11 -2.47 -37.56 2 7 -1 103 225.228 3

Activity (Go SEA)

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