UCSF

ZINC29240863

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 33 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) -0.23 4.06 -53.8 6 10 0 169 457.483 3
Hi High (pH 8-9.5) -0.23 2.97 -138.6 4 10 -2 170 455.467 3
Mid Mid (pH 6-8) -0.23 4.51 -120.68 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.81 3.86 -97.49 4 10 -1 168 456.475 3
Mid Mid (pH 6-8) -0.81 4.3 -134.14 4 10 -1 168 456.475 3
Mid Mid (pH 6-8) -0.96 1.27 -19.57 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 2.37 -54.04 5 10 -1 167 456.475 3
Mid Mid (pH 6-8) -0.96 3.84 -74.15 6 10 0 169 457.483 2
Lo Low (pH 4.5-6) -0.96 2.88 -52.55 7 10 1 166 458.491 2

Activity (Go SEA)

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

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