UCSF

ZINC41763573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) -1.45 2.22 -33.93 2 5 0 69 230.308 6
Hi High (pH 8-9.5) -1.45 0.91 -42.52 1 5 -1 65 229.3 6
Lo Low (pH 4.5-6) -1.45 4.49 -92.98 3 5 1 70 231.316 6

Activity (Go SEA)

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