UCSF

ZINC19960786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.39 6.28 -46.86 2 3 1 29 289.443 5
Mid Mid (pH 6-8) 2.39 7.56 -34.68 2 3 1 26 289.443 5
Lo Low (pH 4.5-6) 2.39 8.65 -117.6 3 3 2 30 290.451 5

Activity (Go SEA)

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