UCSF

ZINC69803158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.48 7.32 -46.13 1 6 1 51 349.48 4
Hi High (pH 8-9.5) 1.48 5.05 -11.44 0 6 0 50 348.472 4
Mid Mid (pH 6-8) 1.48 7.03 -85.73 2 6 2 53 350.488 4
Mid Mid (pH 6-8) 1.48 5 -35.2 1 6 1 51 349.48 4
Lo Low (pH 4.5-6) 1.48 9.36 -112.64 2 6 2 52 350.488 4

Activity (Go SEA)

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

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