UCSF

ZINC20032650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 5.53 13.69 -13.62 1 4 0 39 459.54 6
Lo Low (pH 4.5-6) 5.53 15.45 -56.71 2 4 1 41 460.548 6

Activity (Go SEA)

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