UCSF

ZINC37832303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.33 5.77 -54.48 0 7 -1 96 260.266 10
Lo Low (pH 4.5-6) -0.33 3.79 -12.57 1 7 0 93 261.274 10

Activity (Go SEA)

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