UCSF

ZINC39912599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 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) 5.29 11 -18.49 2 8 0 97 525.605 9
Hi High (pH 8-9.5) 5.06 10.69 -61.06 0 8 -1 96 524.597 9
Hi High (pH 8-9.5) 5.06 10.67 -51.45 0 8 -1 96 524.597 9
Hi High (pH 8-9.5) 5.29 12 -45.73 1 8 -1 100 524.597 9

Activity (Go SEA)

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