UCSF

ZINC05731462

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 22 No

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) 2.30 7.03 -50.1 2 6 -1 94 295.274 3
Lo Low (pH 4.5-6) 2.30 6.44 -9.28 3 6 0 92 296.282 3

Activity (Go SEA)

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