UCSF

ZINC25463280

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 11 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) -0.24 2.91 -27.5 2 6 0 79 152.161 2
Lo Low (pH 4.5-6) -0.24 3.07 -39.63 3 6 1 80 153.169 2

Activity (Go SEA)

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