UCSF

ZINC37040078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.63 0.57 -57 5 6 1 103 250.278 4
Hi High (pH 8-9.5) 1.09 -2.38 -48.38 3 6 -1 104 248.262 4
Mid Mid (pH 6-8) 1.09 -2.05 -81.35 4 6 0 106 249.27 4

Activity (Go SEA)

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