UCSF

ZINC68949075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 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) 1.34 2.29 -44.11 3 3 1 50 215.276 1
Hi High (pH 8-9.5) 1.34 0.88 -6.71 2 3 0 45 214.268 1
Lo Low (pH 4.5-6) 1.34 2.76 -89.35 4 3 2 51 216.284 1

Activity (Go SEA)

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

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