UCSF

ZINC37804184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.27 3.18 -47.65 4 5 1 77 276.36 5
Hi High (pH 8-9.5) 0.27 2.77 -10.43 3 5 0 75 275.352 5

Activity (Go SEA)

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