UCSF

ZINC43896380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 4.04 8.1 -35.82 2 3 1 33 275.416 7
Hi High (pH 8-9.5) 4.04 6.4 -3.91 1 3 0 28 274.408 7
Mid Mid (pH 6-8) 4.04 9.65 -118.65 3 3 2 34 276.424 7
Mid Mid (pH 6-8) 4.04 8.52 -33.76 2 3 1 30 275.416 7

Activity (Go SEA)

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