UCSF

ZINC69238333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 17 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) 0.78 5.52 -34.37 4 4 1 68 233.339 5
Hi High (pH 8-9.5) 0.78 6.94 -5.9 3 4 0 66 232.331 5
Lo Low (pH 4.5-6) 0.78 5.95 -88.29 5 4 2 69 234.347 5

Activity (Go SEA)

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