UCSF

ZINC39957306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 17 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) 2.57 6.09 -35.85 2 2 1 20 231.363 2
Hi High (pH 8-9.5) 2.57 7.09 -32.05 2 2 1 16 231.363 2
Hi High (pH 8-9.5) 2.57 4.84 -2.14 1 2 0 15 230.355 2

Activity (Go SEA)

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