UCSF

ZINC25539559

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 31 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) 3.83 6.89 -15.24 2 9 0 110 443.529 9
Mid Mid (pH 6-8) 3.83 7.71 -54.48 1 9 -1 112 442.521 9

Activity (Go SEA)

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