UCSF

ZINC67435018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 28 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) 1.89 7.16 -54.85 3 8 1 97 383.476 5
Hi High (pH 8-9.5) 1.89 5.8 -12.83 2 8 0 92 382.468 5

Activity (Go SEA)

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

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