UCSF

ZINC39912157

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) 6.28 11.75 -15.24 2 7 0 88 489.616 11
Hi High (pH 8-9.5) 6.05 12.3 -45.49 0 7 -1 87 488.608 11
Hi High (pH 8-9.5) 6.05 11.99 -57.2 0 7 -1 87 488.608 11
Hi High (pH 8-9.5) 6.28 12.87 -39.97 1 7 -1 91 488.608 11

Activity (Go SEA)

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