UCSF

ZINC61326982

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 No

Download: MOL2 SDF SMILES Flexibase

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) -0.85 2.06 -41.83 4 5 1 90 312.44 4
Mid Mid (pH 6-8) -0.85 2.01 -71.61 4 5 1 90 312.44 4
Mid Mid (pH 6-8) -0.85 1.65 -19.55 3 5 0 89 311.432 4
Lo Low (pH 4.5-6) -0.85 2.35 -140.53 5 5 2 92 313.448 4

Activity (Go SEA)

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

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