UCSF

ZINC37817492

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) 2.74 9.44 -42.22 2 3 1 37 338.269 5
Hi High (pH 8-9.5) 2.74 8.06 -8.56 1 3 0 32 337.261 5

Activity (Go SEA)

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