UCSF

ZINC62670091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 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) -0.06 2.23 -41.44 3 5 1 58 211.289 3
Hi High (pH 8-9.5) -0.06 0.93 -7.28 2 5 0 53 210.281 3
Lo Low (pH 4.5-6) -0.06 2.37 -88.45 4 5 2 59 212.297 3

Activity (Go SEA)

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

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