UCSF

ZINC37075149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.12 7.66 -36.05 3 3 1 46 279.363 4
Mid Mid (pH 6-8) 3.12 6.68 -7.78 2 3 0 41 278.355 4

Activity (Go SEA)

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