UCSF

ZINC16578691

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 24 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) 4.72 7.6 -10.49 1 5 0 68 368.886 6
Hi High (pH 8-9.5) 4.72 7.65 -40.57 0 5 -1 70 367.878 6

Activity (Go SEA)

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