UCSF

ZINC36197508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 2.37 6.17 -14.66 1 3 0 46 188.23 3
Lo Low (pH 4.5-6) 2.37 6.66 -40.73 2 3 1 47 189.238 3

Activity (Go SEA)

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