UCSF

ZINC32873940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 25 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) 2.05 4.92 -13.85 1 6 0 64 341.411 6
Lo Low (pH 4.5-6) 2.05 5.2 -48.89 2 6 1 65 342.419 6

Activity (Go SEA)

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