UCSF

ZINC57671362

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 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) 4.51 9.32 -68.18 2 2 0 16 275.441 6
Hi High (pH 8-9.5) 4.51 9.23 -3.36 1 2 0 15 274.433 6

Activity (Go SEA)

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