UCSF

ZINC43424639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

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) 2.09 2.33 -45.37 3 3 1 40 253.41 2
Lo Low (pH 4.5-6) 2.09 4.25 -121.95 4 3 2 41 254.418 2

Activity (Go SEA)

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