UCSF

ZINC42948727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 24 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) 1.41 4.81 -11.84 1 7 0 84 324.388 5
Mid Mid (pH 6-8) 1.41 6.9 -37 2 7 1 85 325.396 5
Mid Mid (pH 6-8) 1.41 5.28 -41.14 2 7 1 85 325.396 5
Mid Mid (pH 6-8) 1.41 4.8 -13.94 1 7 0 84 324.388 5
Lo Low (pH 4.5-6) 1.41 5.68 -99.16 3 7 2 86 326.404 5

Activity (Go SEA)

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