UCSF

ZINC43413629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.22 4.12 -48.64 3 6 -1 108 290.343 6
Lo Low (pH 4.5-6) 1.22 4.61 -58.94 4 6 0 109 291.351 6

Activity (Go SEA)

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