UCSF

ZINC42771737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) -0.39 5.1 -28.87 1 4 0 48 216.325 7
Mid Mid (pH 6-8) -0.39 6.24 -59.94 1 4 0 48 216.325 7
Lo Low (pH 4.5-6) -0.39 7.56 -75.04 2 4 1 49 217.333 7

Activity (Go SEA)

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