UCSF

ZINC19497379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 26 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) 3.31 7.74 -43.67 1 5 1 39 359.49 4
Lo Low (pH 4.5-6) 3.31 10.16 -111.96 2 5 2 40 360.498 4

Activity (Go SEA)

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