UCSF

ZINC42909675

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.92 3.45 -122.36 5 4 2 62 268.401 7
Mid Mid (pH 6-8) 0.92 1.7 -42.44 4 4 1 60 267.393 7
Mid Mid (pH 6-8) 0.92 3.2 -37.28 4 4 1 60 267.393 7

Activity (Go SEA)

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