UCSF

ZINC35450510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) 1.76 10.48 -24.35 1 8 0 99 449.898 7
Lo Low (pH 4.5-6) 1.76 10.94 -50.72 2 8 1 100 450.906 7

Activity (Go SEA)

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