UCSF

ZINC42537318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 24 Yes

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) 3.08 8.83 -39.47 3 5 1 62 329.468 9
Mid Mid (pH 6-8) 3.08 8.89 -43.51 3 5 1 62 329.468 9

Activity (Go SEA)

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