UCSF

ZINC32843961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 24 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) 3.63 7.92 -18.22 2 5 0 59 320.396 5
Lo Low (pH 4.5-6) 3.63 8.03 -38.55 3 5 1 60 321.404 5

Activity (Go SEA)

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