UCSF

ZINC32698119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 10 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) -0.76 -2.54 -16.66 3 5 0 85 158.186 3
Hi High (pH 8-9.5) -0.76 -2.49 -9.12 3 5 0 85 158.186 3
Mid Mid (pH 6-8) -0.76 -2.69 -41.36 2 5 -1 83 157.178 3
Mid Mid (pH 6-8) -0.76 -2.35 -11.75 3 5 0 85 158.186 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.