UCSF

ZINC43909242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 3.45 9.9 -111.77 3 2 2 21 260.425 4
Hi High (pH 8-9.5) 3.45 6.43 -1.3 1 2 0 15 258.409 4
Mid Mid (pH 6-8) 3.45 9.01 -29.82 2 2 1 16 259.417 4
Mid Mid (pH 6-8) 3.45 8.41 -33.37 2 2 1 20 259.417 4

Activity (Go SEA)

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