UCSF

ZINC19965201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.06 6.67 -38.8 2 5 1 46 298.451 5
Lo Low (pH 4.5-6) 2.06 7.78 -116.98 3 5 2 51 299.459 5

Activity (Go SEA)

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