UCSF

ZINC40515066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 1.20 4.73 -33.46 4 4 1 68 233.339 2
Hi High (pH 8-9.5) 1.20 4.78 -6.42 3 4 0 66 232.331 2
Mid Mid (pH 6-8) 1.20 5.16 -85.35 5 4 2 69 234.347 2

Activity (Go SEA)

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