UCSF

ZINC26716360

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 25 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) 1.34 4.79 -18.42 1 7 0 73 341.367 3
Lo Low (pH 4.5-6) 1.34 5.21 -50.36 2 7 1 74 342.375 3

Activity (Go SEA)

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