UCSF

ZINC43454493

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 2.99 7.22 -104.52 4 2 2 32 216.413 10
Hi High (pH 8-9.5) 2.99 6.84 -32.07 3 2 1 30 215.405 10
Hi High (pH 8-9.5) 2.99 5.43 -41.01 3 2 1 31 215.405 10

Activity (Go SEA)

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