UCSF

ZINC09207398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 22 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) -0.74 -0.87 -20.49 5 10 0 148 308.298 3
Lo Low (pH 4.5-6) -0.74 -8.97 -48.69 6 10 1 149 309.306 3
Lo Low (pH 4.5-6) -0.74 -8.97 -46.89 6 10 1 149 309.306 3

Activity (Go SEA)

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