UCSF

ZINC36232417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.11 4.04 -44.59 3 3 1 40 235.351 3
Hi High (pH 8-9.5) 0.11 3.61 -2.98 2 3 0 38 234.343 3
Lo Low (pH 4.5-6) 0.11 5.63 -131.49 4 3 2 41 236.359 3

Activity (Go SEA)

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