UCSF

ZINC42434088

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) -0.42 -1.12 -45.63 1 6 -1 89 222.224 2
Lo Low (pH 4.5-6) -0.88 0.73 -11.05 2 6 0 86 223.232 2

Activity (Go SEA)

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