UCSF

ZINC43442702

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.11 4.5 -34.33 2 7 0 109 290.323 7
Lo Low (pH 4.5-6) -0.11 5.05 -69.04 3 7 1 110 291.331 7

Activity (Go SEA)

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