UCSF

ZINC27979776

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 21 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) 1.48 8.63 -100.71 2 5 2 42 293.411 3
Mid Mid (pH 6-8) 1.48 6.23 -45.41 1 5 1 41 292.403 3

Activity (Go SEA)

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