UCSF

ZINC26458931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 35 No

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) 4.68 10.5 -57.58 0 7 -1 92 478.496 10
Lo Low (pH 4.5-6) 4.68 9.68 -15.43 1 7 0 89 479.504 10

Activity (Go SEA)

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