UCSF

ZINC36797873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.50 3.6 -4.13 2 3 0 38 268.788 3
Lo Low (pH 4.5-6) 2.50 5.79 -30.45 3 3 1 40 269.796 3

Activity (Go SEA)

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