UCSF

ZINC39912089

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 3.53 5.67 -14.41 3 7 0 99 405.454 5
Hi High (pH 8-9.5) 3.30 5.39 -59.4 1 7 -1 98 404.446 5
Hi High (pH 8-9.5) 3.30 5.64 -52.03 1 7 -1 98 404.446 5
Hi High (pH 8-9.5) 3.53 6.67 -44.24 2 7 -1 102 404.446 5

Activity (Go SEA)

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