UCSF

ZINC26439264

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 25 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) 2.94 7.89 -36.96 2 5 1 40 345.511 5
Lo Low (pH 4.5-6) 2.94 8.63 -71.99 3 5 0 41 346.519 5

Activity (Go SEA)

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