UCSF

ZINC37829988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.02 8.42 -62.82 0 5 -1 70 286.392 9
Lo Low (pH 4.5-6) 2.02 6.25 -11.92 1 5 0 67 287.4 9

Activity (Go SEA)

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