UCSF

ZINC43395427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.76 5.74 -7.94 1 4 0 62 224.267 3
Lo Low (pH 4.5-6) 0.76 6.19 -36.19 2 4 1 63 225.275 3

Activity (Go SEA)

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