UCSF

ZINC37998477

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.79 6.19 -4.79 2 2 0 32 338.22 5
Lo Low (pH 4.5-6) 3.79 7.28 -48.73 3 2 1 37 339.228 5

Activity (Go SEA)

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