UCSF

ZINC39119752

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 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) 2.55 5.95 -7.29 0 3 0 31 217.268 4
Lo Low (pH 4.5-6) 2.55 6.41 -36.63 1 3 1 33 218.276 4

Activity (Go SEA)

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