UCSF

ZINC39897952

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 3.68 5.13 -13.08 3 6 0 89 397.862 5
Mid Mid (pH 6-8) 3.68 5.5 -15.26 3 6 0 89 397.862 5

Activity (Go SEA)

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