UCSF

ZINC59728491

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 34 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) 1.18 0.15 -21.77 5 11 0 176 474.418 6
Hi High (pH 8-9.5) 1.18 1.13 -68.24 4 11 -1 179 473.41 6

Activity (Go SEA)

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