UCSF

ZINC42464966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.57 7.28 -37.04 1 3 1 31 274.793 5
Mid Mid (pH 6-8) 2.57 4.94 -7.53 0 3 0 30 273.785 5

Activity (Go SEA)

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