UCSF

ZINC34682253

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 2.74 8.47 -44.79 3 6 1 70 387.479 6
Lo Low (pH 4.5-6) 2.74 8.81 -100.24 4 6 2 71 388.487 6

Activity (Go SEA)

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