UCSF

ZINC06007520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 15 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) -0.18 2.02 -12.76 2 7 0 96 242.289 3
Hi High (pH 8-9.5) -0.17 1.82 -32.63 1 7 -1 95 241.281 3
Mid Mid (pH 6-8) -0.11 0.82 -98.44 0 7 -2 101 240.273 3

Activity (Go SEA)

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

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