UCSF

ZINC26295898

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 30 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) 3.28 9.23 -66.86 2 8 -1 102 461.98 8
Lo Low (pH 4.5-6) 2.55 9.39 -34.43 3 8 0 105 462.988 8

Activity (Go SEA)

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