UCSF

ZINC05743056

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 12 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) 0.72 2.83 -14.99 1 3 0 41 160.176 1
Mid Mid (pH 6-8) 0.72 2.84 -10.91 1 3 0 41 160.176 1

Activity (Go SEA)

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