UCSF

ZINC06381947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 16 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) 0.85 5.83 -40.52 4 5 1 68 224.332 7
Mid Mid (pH 6-8) 0.85 6.34 -80.1 5 5 2 70 225.34 7

Activity (Go SEA)

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