UCSF

ZINC54534524

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 2.07 5.45 -41.35 2 4 1 37 314.812 5
Hi High (pH 8-9.5) 2.07 3.08 -10.17 1 4 0 36 313.804 5
Hi High (pH 8-9.5) 2.07 5.35 -42.63 2 4 1 37 314.812 5

Activity (Go SEA)

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