UCSF

ZINC37985127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 4.93 9.79 -45.5 2 1 1 17 325.295 4
Hi High (pH 8-9.5) 4.93 8.44 -3.23 1 1 0 12 324.287 4

Activity (Go SEA)

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