UCSF

ZINC39912677

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 4.56 9.58 -16.54 2 8 0 97 493.604 10
Hi High (pH 8-9.5) 4.33 10.13 -47.07 0 8 -1 96 492.596 10
Hi High (pH 8-9.5) 4.33 9.83 -58.31 0 8 -1 96 492.596 10
Hi High (pH 8-9.5) 4.56 10.67 -41.54 1 8 -1 100 492.596 10

Activity (Go SEA)

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