UCSF

ZINC16682077

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 5.76 10.84 -11.66 2 6 0 84 457.555 9
Hi High (pH 8-9.5) 5.76 11.85 -50.21 1 6 -1 87 456.547 9
Hi High (pH 8-9.5) 5.76 12.92 -53.13 1 6 -1 87 456.547 9

Activity (Go SEA)

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