UCSF

ZINC41513374

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.85 9.39 -38.65 2 4 1 55 354.401 3
Mid Mid (pH 6-8) 3.85 10.15 -26.34 1 4 0 58 353.393 3

Activity (Go SEA)

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