UCSF

ZINC23305078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 30 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) 2.74 8.09 -16.83 1 7 0 79 404.47 4
Lo Low (pH 4.5-6) 2.74 8.39 -44.39 2 7 1 80 405.478 4

Activity (Go SEA)

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