UCSF

ZINC13403786

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 16 No

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) 1.01 2.79 -43.8 1 6 -1 90 219.176 2
Hi High (pH 8-9.5) 0.83 3.05 -55.61 1 6 -1 91 219.176 3
Lo Low (pH 4.5-6) 1.01 3.17 -10.91 2 6 0 92 220.184 2
Lo Low (pH 4.5-6) 1.01 2.37 -10.79 2 6 0 92 220.184 2

Activity (Go SEA)

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

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