UCSF

ZINC43259012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.12 8.69 -118.96 4 2 2 32 347.366 4
Hi High (pH 8-9.5) 4.12 6.7 -1.77 2 2 0 29 345.35 4
Mid Mid (pH 6-8) 4.12 8.4 -33.39 3 2 1 30 346.358 4
Mid Mid (pH 6-8) 4.12 6.98 -44.34 3 2 1 31 346.358 4

Activity (Go SEA)

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