UCSF

ZINC12668875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 16 No

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) 1.60 5.95 -9.62 1 4 0 54 233.296 2
Mid Mid (pH 6-8) 2.13 5.97 -29.87 2 4 1 55 234.304 3

Activity (Go SEA)

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