UCSF

ZINC12536557

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 1.52 3.36 -14 2 6 0 88 347.44 7
Lo Low (pH 4.5-6) 1.52 3.64 -49.24 3 6 1 89 348.448 7

Activity (Go SEA)

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