UCSF

ZINC38002887

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 5.96 11.46 -33.26 2 1 1 17 379.368 5
Mid Mid (pH 6-8) 5.96 10.28 -3.46 1 1 0 12 378.36 5

Activity (Go SEA)

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