UCSF

ZINC62323616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 Yes

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) -0.80 4.24 -41.49 1 6 0 72 251.286 3
Hi High (pH 8-9.5) -0.80 3.77 -54.94 0 6 -1 70 250.278 3
Mid Mid (pH 6-8) -0.80 6.04 -71.4 2 6 1 73 252.294 3
Lo Low (pH 4.5-6) -0.80 5.57 -49.87 1 6 0 72 251.286 3

Activity (Go SEA)

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

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