UCSF

ZINC62964416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.56 3.4 -97.63 4 3 2 35 213.369 3
Hi High (pH 8-9.5) 0.56 1.03 -41.6 3 3 1 34 212.361 3
Lo Low (pH 4.5-6) 0.56 5.02 -202.81 5 3 3 37 214.377 3

Activity (Go SEA)

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

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