UCSF

ZINC37822728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.85 3.79 -40.59 3 4 1 61 222.312 5
Lo Low (pH 4.5-6) 0.85 4.25 -82.47 4 4 2 62 223.32 5

Activity (Go SEA)

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