UCSF

ZINC61295336

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 1.00 4.25 -43.08 3 5 1 66 282.408 5
Hi High (pH 8-9.5) 1.00 4.36 -11.37 2 5 0 61 281.4 5

Activity (Go SEA)

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

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