UCSF

ZINC41673754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) -0.43 2.63 -6.07 2 3 0 52 185.248 3
Lo Low (pH 4.5-6) -0.43 2.96 -40.44 3 3 1 54 186.256 3

Activity (Go SEA)

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