UCSF

ZINC55668318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 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) 2.24 8.85 -45.63 1 4 1 34 289.399 5
Mid Mid (pH 6-8) 2.24 6.64 -9.69 0 4 0 33 288.391 5

Activity (Go SEA)

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