UCSF

ZINC20441459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 1.45 6.96 -80.48 3 3 2 21 239.407 5
Lo Low (pH 4.5-6) 1.45 8.15 -193.05 4 3 3 25 240.415 5

Activity (Go SEA)

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