UCSF

ZINC20126474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.31 6.06 -11.33 1 4 0 58 253.305 5
Lo Low (pH 4.5-6) 2.31 6.49 -45.46 2 4 1 59 254.313 5

Activity (Go SEA)

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