UCSF

ZINC32500259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 19 No

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) -0.34 3.48 -50.85 2 5 1 57 260.317 2
Ref Reference (pH 7) -0.34 3.49 -50.91 2 5 1 57 260.317 2
Hi High (pH 8-9.5) -0.34 2.13 -10.45 1 5 0 53 259.309 2
Hi High (pH 8-9.5) -0.34 2.14 -10.63 1 5 0 53 259.309 2
Lo Low (pH 4.5-6) -0.34 5.72 -133.39 3 5 2 58 261.325 2
Lo Low (pH 4.5-6) -0.34 4.31 -45.16 2 5 1 54 260.317 2

Activity (Go SEA)

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