UCSF

ZINC40956002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 24 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) 4.76 12.06 -41.85 1 3 1 31 324.444 6
Hi High (pH 8-9.5) 4.76 9.85 -7.63 0 3 0 30 323.436 6

Activity (Go SEA)

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