UCSF

ZINC39912591

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) 6.98 12.82 -11.98 2 7 0 88 525.649 10
Hi High (pH 8-9.5) 6.75 13.38 -45.67 0 7 -1 87 524.641 10
Hi High (pH 8-9.5) 6.75 13.16 -54.51 0 7 -1 87 524.641 10
Hi High (pH 8-9.5) 6.98 13.95 -39.91 1 7 -1 91 524.641 10

Activity (Go SEA)

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