UCSF

ZINC39911832

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 6.11 11.15 -9.82 2 6 0 78 447.579 8
Hi High (pH 8-9.5) 5.88 11.37 -53.3 0 6 -1 77 446.571 8
Hi High (pH 8-9.5) 5.88 11.56 -44.43 0 6 -1 77 446.571 8
Hi High (pH 8-9.5) 6.11 12.05 -46.67 1 6 -1 81 446.571 8

Activity (Go SEA)

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