UCSF

ZINC53156604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.38 5.95 -9.09 1 3 0 30 289.688 5
Mid Mid (pH 6-8) 2.38 7.27 -50.05 2 3 1 34 290.696 5
Lo Low (pH 4.5-6) 2.38 7.66 -125.82 3 3 2 36 291.704 5
Lo Low (pH 4.5-6) 2.38 6.3 -37.15 2 3 1 31 290.696 5

Activity (Go SEA)

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