UCSF

ZINC36996704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.37 4.48 -36.21 3 4 1 49 306.817 2
Mid Mid (pH 6-8) 2.37 3.51 -5.78 2 4 0 44 305.809 2
Mid Mid (pH 6-8) 2.37 5.76 -32.58 3 4 1 46 306.817 2
Lo Low (pH 4.5-6) 2.37 6.77 -110.5 4 4 2 50 307.825 2

Activity (Go SEA)

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