UCSF

ZINC39912400

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) 6.29 12.77 -14.91 2 7 0 88 525.649 9
Hi High (pH 8-9.5) 6.06 13.69 -59.45 0 7 -1 87 524.641 9
Hi High (pH 8-9.5) 6.06 13.18 -51.15 0 7 -1 87 524.641 9
Hi High (pH 8-9.5) 6.29 13.65 -44.04 1 7 -1 91 524.641 9

Activity (Go SEA)

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