UCSF

ZINC24871179

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) -0.01 5.35 -19.02 0 6 0 57 305.378 3
Mid Mid (pH 6-8) -0.01 7.69 -63.79 1 6 1 58 306.386 3

Activity (Go SEA)

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