UCSF

ZINC20412413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 5.15 10.39 -22.53 1 6 0 78 425.293 6
Hi High (pH 8-9.5) 5.33 9.3 -41.25 0 6 -1 84 424.285 6

Activity (Go SEA)

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