UCSF

ZINC34690227

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 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) 5.06 12.72 -62.06 1 4 -1 77 449.611 1
Hi High (pH 8-9.5) 5.06 13.52 -114.01 0 4 -2 80 448.603 1
Lo Low (pH 4.5-6) 5.06 10.75 -16.27 2 4 0 75 450.619 1

Activity (Go SEA)

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