UCSF

ZINC34854120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 14 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) 2.22 5.7 -5.03 1 1 0 12 189.233 2
Mid Mid (pH 6-8) 2.22 6.93 -34.8 2 1 1 17 190.241 2

Activity (Go SEA)

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