UCSF

ZINC32547841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 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) 3.09 8.25 -34.31 1 2 1 8 239.427 5
Lo Low (pH 4.5-6) 3.09 10.66 -98.75 2 2 2 9 240.435 5
Lo Low (pH 4.5-6) 3.09 8.33 -33.29 1 2 1 8 239.427 5

Activity (Go SEA)

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