UCSF

ZINC34677661

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 24 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) 1.01 2.75 -45.52 2 7 1 74 339.46 8
Mid Mid (pH 6-8) 1.01 0.46 -8.91 1 7 0 73 338.452 8
Lo Low (pH 4.5-6) 1.01 2.74 -44.2 2 7 1 74 339.46 8

Activity (Go SEA)

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