UCSF

ZINC34571797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.78 5.22 -85.26 2 3 2 12 189.347 7
Hi High (pH 8-9.5) 0.78 2.75 -32.64 1 3 1 11 188.339 7
Lo Low (pH 4.5-6) 0.78 7.38 -194.22 3 3 3 13 190.355 7

Activity (Go SEA)

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