UCSF

ZINC26535169

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 3.42 3.56 -13.47 3 6 0 91 391.276 5
Hi High (pH 8-9.5) 3.42 3.63 -39.9 2 6 -1 93 390.268 5

Activity (Go SEA)

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