UCSF

ZINC39897922

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 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) 2.77 3.69 -13.29 3 6 0 89 369.808 4
Mid Mid (pH 6-8) 2.77 4.46 -49.35 2 6 -1 92 368.8 4

Activity (Go SEA)

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