UCSF

ZINC41665672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 5.19 10.44 -18.15 0 7 0 70 487.552 7
Mid Mid (pH 6-8) 5.19 13.31 -50.58 1 7 1 72 488.56 7

Activity (Go SEA)

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