UCSF

ZINC25377593

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) -0.12 2.3 -21.09 2 7 0 112 344.396 7
Lo Low (pH 4.5-6) -0.12 2.7 -52.93 3 7 1 113 345.404 7

Activity (Go SEA)

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