UCSF

ZINC26474389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 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) 3.61 7.73 -12.49 1 4 0 47 310.397 6
Lo Low (pH 4.5-6) 3.61 8.12 -31.17 2 4 1 49 311.405 6

Activity (Go SEA)

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