UCSF

ZINC34745090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 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) 0.92 -0.13 -7.35 8 6 0 123 288.351 6
Mid Mid (pH 6-8) 0.92 -0.24 -39.85 9 6 1 124 289.359 6
Lo Low (pH 4.5-6) 0.92 -0.34 -87.17 10 6 2 126 290.367 6

Activity (Go SEA)

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