UCSF

ZINC37791782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.89 6.61 -47.41 1 4 -1 69 250.249 4
Lo Low (pH 4.5-6) 1.89 4.62 -9.71 2 4 0 66 251.257 4

Activity (Go SEA)

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