UCSF

ZINC37079538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.22 1.62 -37.54 3 2 1 31 143.254 4
Mid Mid (pH 6-8) 0.22 3.39 -107.35 4 2 2 32 144.262 4
Mid Mid (pH 6-8) 0.22 3.03 -26.05 3 2 1 30 143.254 4

Activity (Go SEA)

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