UCSF

ZINC25437170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 24 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) 2.31 6.01 -11.4 2 5 0 73 326.396 9
Mid Mid (pH 6-8) 2.31 8.1 -54.53 3 5 1 74 327.404 9

Activity (Go SEA)

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