UCSF

ZINC55668245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 21 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) 1.12 7.19 -49.68 2 5 1 54 296.435 8
Mid Mid (pH 6-8) 1.12 4.97 -13.26 1 5 0 53 295.427 8

Activity (Go SEA)

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