UCSF

ZINC05729482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 27 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) 3.85 -7.08 -15.09 2 6 0 92 402.497 6
Hi High (pH 8-9.5) 3.85 -6.61 -45.38 1 6 -1 94 401.489 6
Hi High (pH 8-9.5) 3.85 -6.5 -53.5 1 6 -1 94 401.489 6
Hi High (pH 8-9.5) 3.85 -6.03 -112.72 0 6 -2 96 400.481 6

Activity (Go SEA)

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