UCSF

ZINC20265985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.68 7.35 -97.33 4 3 2 35 301.409 4
Mid Mid (pH 6-8) 2.68 5.03 -47.17 3 3 1 34 300.401 4

Activity (Go SEA)

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