UCSF

ZINC37836244

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) 1.43 6.96 -49.4 0 5 -1 70 280.344 5
Lo Low (pH 4.5-6) 1.43 4.94 -8.79 1 5 0 67 281.352 5

Activity (Go SEA)

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