UCSF

ZINC21981720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 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) 2.27 6.39 -22.38 1 5 0 68 302.374 5
Mid Mid (pH 6-8) 2.27 7.43 -31.08 2 5 1 69 303.382 5

Activity (Go SEA)

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