UCSF

ZINC42717095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 0.47 6.25 -59.3 1 5 0 71 212.249 6
Hi High (pH 8-9.5) 0.47 3.92 -50.37 0 5 -1 69 211.241 6

Activity (Go SEA)

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