UCSF

ZINC85552381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2013 34 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) -5.73 -23.08 -96.98 16 16 2 289 503.502 7
Hi High (pH 8-9.5) -5.73 -23.74 -15.21 14 16 0 286 501.486 7
Mid Mid (pH 6-8) -5.73 -23.41 -55.89 15 16 1 288 502.494 7
Mid Mid (pH 6-8) -5.73 -22.71 -197.19 17 16 3 291 504.51 7
Mid Mid (pH 6-8) -5.73 -23.02 -122.51 16 16 2 289 503.502 7

Activity (Go SEA)

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

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