UCSF

ZINC43424831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.83 0.97 -44.85 3 4 1 49 255.382 2
Lo Low (pH 4.5-6) 0.83 2.57 -126.68 4 4 2 51 256.39 2

Activity (Go SEA)

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