UCSF

ZINC62799084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 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) 2.51 7.35 -43.2 2 4 1 44 292.79 4
Hi High (pH 8-9.5) 2.51 6.11 -7.15 1 4 0 39 291.782 4
Lo Low (pH 4.5-6) 2.51 8.01 -80.13 3 4 2 45 293.798 4

Activity (Go SEA)

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

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