UCSF

ZINC19998074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 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) 3.14 6.66 -6.54 1 4 0 42 387.277 2
Lo Low (pH 4.5-6) 3.14 7.48 -32.33 2 4 1 43 388.285 2

Activity (Go SEA)

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