UCSF

ZINC41514726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.14 11.04 -42.62 2 4 1 51 377.439 6
Hi High (pH 8-9.5) 5.14 9.47 -46.64 0 4 -1 52 375.423 6
Hi High (pH 8-9.5) 5.14 11.8 -25.76 1 4 0 54 376.431 6
Mid Mid (pH 6-8) 5.14 8.7 -13.72 1 4 0 49 376.431 6

Activity (Go SEA)

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