UCSF

ZINC62321773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) 1.55 7.15 -33.47 1 4 1 39 264.393 5
Hi High (pH 8-9.5) 1.55 6.51 -12.83 0 4 0 38 263.385 5
Lo Low (pH 4.5-6) 1.55 8.69 -46.53 1 4 1 39 264.393 5

Activity (Go SEA)

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

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