UCSF

ZINC34965712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 2.66 7.98 -14.55 0 5 0 60 324.34 2
Lo Low (pH 4.5-6) 2.66 8.43 -44.75 1 5 1 61 325.348 2

Activity (Go SEA)

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