UCSF

ZINC49989065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.33 6.04 -44.47 3 3 1 48 235.351 3
Mid Mid (pH 6-8) 2.33 5.69 -8.27 2 3 0 46 234.343 3

Activity (Go SEA)

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