UCSF

ZINC41512111

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) 3.71 9.91 -42.37 2 5 1 68 354.426 3
Mid Mid (pH 6-8) 3.71 10.68 -30.7 1 5 0 71 353.418 3

Activity (Go SEA)

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