UCSF

ZINC13469639

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) 1.89 6.66 -70.91 2 8 -1 128 400.436 6
Hi High (pH 8-9.5) 1.89 6.7 -115.52 1 8 -2 130 399.428 6
Lo Low (pH 4.5-6) 1.89 6.79 -77.65 3 8 0 130 401.444 6

Activity (Go SEA)

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