UCSF

ZINC34605627

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) -1.78 -5.82 -33.99 5 6 1 95 248.299 3
Hi High (pH 8-9.5) -1.78 -8.27 -7.94 4 6 0 93 247.291 3

Activity (Go SEA)

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