UCSF

ZINC36171049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.80 8.83 -37.14 1 3 1 31 292.491 3
Hi High (pH 8-9.5) 3.80 6.63 -5.55 0 3 0 30 291.483 3

Activity (Go SEA)

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