UCSF

ZINC12594722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 2.71 8.08 -47.9 2 6 1 67 379.55 6
Hi High (pH 8-9.5) 2.71 6.48 -11.9 1 6 0 66 378.542 6

Activity (Go SEA)

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