UCSF

ZINC43411186

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) -0.41 -0.66 -40.12 4 4 1 63 188.295 6
Hi High (pH 8-9.5) -0.41 0.19 -35.88 4 4 1 60 188.295 6
Hi High (pH 8-9.5) -0.41 -1.81 -6.56 3 4 0 58 187.287 6
Mid Mid (pH 6-8) -0.41 1.5 -114.52 5 4 2 64 189.303 6

Activity (Go SEA)

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