UCSF

ZINC32915683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 34 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) 4.22 11.6 -20.55 1 7 0 82 449.514 7
Lo Low (pH 4.5-6) 4.22 12.03 -48.52 2 7 1 83 450.522 7

Activity (Go SEA)

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