UCSF

ZINC04707882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 18 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) 1.49 3.03 -7.26 0 4 0 32 240.31 2
Lo Low (pH 4.5-6) 1.49 3.31 -36.22 1 4 1 34 241.318 2
Lo Low (pH 4.5-6) 1.49 3.6 -75.25 2 4 2 35 242.326 2

Activity (Go SEA)

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