UCSF

ZINC13282095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 20 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) 3.33 8.46 -35.69 4 5 1 70 270.36 0
Hi High (pH 8-9.5) 3.33 7.95 -17.13 3 5 0 68 269.352 0
Mid Mid (pH 6-8) 3.50 10.25 -16.74 3 5 0 71 269.352 0

Activity (Go SEA)

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