UCSF

ZINC37829650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.89 10.39 -61.93 0 4 -1 60 288.367 4
Lo Low (pH 4.5-6) 2.89 8.34 -12.87 1 4 0 58 289.375 4

Activity (Go SEA)

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