UCSF

ZINC34664809

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 5.78 9.96 -37.9 2 2 1 26 420.552 5
Hi High (pH 8-9.5) 5.78 8.56 -3.56 1 2 0 21 419.544 5

Activity (Go SEA)

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