UCSF

ZINC12545837

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 1.43 5.97 -14.6 1 6 0 73 295.346 4
Lo Low (pH 4.5-6) 1.43 6.25 -46.15 2 6 1 74 296.354 4

Activity (Go SEA)

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