UCSF

ZINC05311844

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 26 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) 3.95 14.48 -12.7 0 5 0 46 345.45 5
Mid Mid (pH 6-8) 3.95 14.6 -70.47 1 5 0 48 346.458 5
Lo Low (pH 4.5-6) 3.95 15.1 -55 2 5 0 49 347.466 5

Activity (Go SEA)

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