UCSF

ZINC25497371

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.11 10.34 -14.06 2 6 0 80 372.428 5
Hi High (pH 8-9.5) 4.57 8.97 -55.25 1 6 -1 83 371.42 5
Lo Low (pH 4.5-6) 4.11 10.87 -44.18 3 6 1 81 373.436 5

Activity (Go SEA)

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