UCSF

ZINC42946447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 2.83 5.74 -122.81 5 4 2 61 313.873 8
Mid Mid (pH 6-8) 2.83 3.35 -50.71 4 4 1 60 312.865 8
Mid Mid (pH 6-8) 2.83 5.42 -37.54 4 4 1 60 312.865 8

Activity (Go SEA)

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