UCSF

ZINC37802482

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) 2.17 4.92 -39.87 3 4 1 57 281.351 6
Hi High (pH 8-9.5) 2.17 5.5 -8.18 2 4 0 56 280.343 6

Activity (Go SEA)

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