UCSF

ZINC34939449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 1.72 3.69 -6.59 1 2 0 36 182.173 2
Lo Low (pH 4.5-6) 1.72 4.85 -52 2 2 1 40 183.181 2

Activity (Go SEA)

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