UCSF

ZINC49826119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 3.15 9.45 -44.39 1 3 1 31 301.204 6
Mid Mid (pH 6-8) 3.15 7.2 -6.82 0 3 0 30 300.196 6

Activity (Go SEA)

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