UCSF

ZINC42267674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.94 6.51 -29.39 1 5 1 49 262.37 12
Mid Mid (pH 6-8) 1.94 4.32 -5.68 0 5 0 48 261.362 12

Activity (Go SEA)

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