UCSF

ZINC36627882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 3.46 10.67 -45.69 2 4 1 57 348.451 2
Mid Mid (pH 6-8) 3.46 8.25 -8.69 1 4 0 56 347.443 2

Activity (Go SEA)

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