UCSF

ZINC45692626

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 3.07 9.62 -33.98 2 3 1 20 290.475 8
Hi High (pH 8-9.5) 3.07 8.9 -31.72 2 3 1 23 290.475 8
Lo Low (pH 4.5-6) 3.07 10.55 -111.31 3 3 2 24 291.483 8

Activity (Go SEA)

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