UCSF

ZINC33174373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2009 26 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) 2.62 8.95 -81.05 3 5 2 51 374.554 6
Hi High (pH 8-9.5) 2.62 8.51 -50.21 2 5 1 50 373.546 6

Activity (Go SEA)

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