UCSF

ZINC20084370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 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) 2.90 7.28 -8.88 0 5 0 45 409.555 4
Lo Low (pH 4.5-6) 2.90 10.52 -86.89 2 5 2 48 411.571 4

Activity (Go SEA)

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