UCSF

ZINC33247453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2009 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) 1.57 5.4 -50.77 0 6 -1 88 295.274 2
Lo Low (pH 4.5-6) 1.11 7.18 -12.94 1 6 0 85 296.282 2

Activity (Go SEA)

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