UCSF

ZINC44103137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.05 5.05 -38.91 2 4 1 44 252.334 6
Hi High (pH 8-9.5) 2.05 3.94 -5.29 1 4 0 40 251.326 6

Activity (Go SEA)

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