UCSF

ZINC42327422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.40 8.54 -37.61 1 5 1 37 320.457 6
Mid Mid (pH 6-8) 2.40 6.22 -10.17 0 5 0 36 319.449 6

Activity (Go SEA)

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