UCSF

ZINC13648390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 No

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) 4.30 3.95 -46.15 1 5 -1 78 339.396 4
Mid Mid (pH 6-8) 3.84 5.49 -9.53 2 5 0 75 340.404 4
Mid Mid (pH 6-8) 3.84 4.56 -8.02 2 5 0 75 340.404 4
Lo Low (pH 4.5-6) 4.10 5.09 -40.25 1 5 -1 74 339.396 5

Activity (Go SEA)

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