UCSF

ZINC39911747

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 5.48 10.89 -16.39 2 8 0 97 521.658 12
Hi High (pH 8-9.5) 5.25 11.44 -46.83 0 8 -1 96 520.65 12
Hi High (pH 8-9.5) 5.25 11.13 -58.72 0 8 -1 96 520.65 12
Hi High (pH 8-9.5) 5.48 11.98 -41.61 1 8 -1 100 520.65 12

Activity (Go SEA)

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