UCSF

ZINC43710363

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) -0.48 3.39 -57.62 3 6 1 75 292.359 4
Hi High (pH 8-9.5) -0.48 2.03 -15.19 2 6 0 71 291.351 4

Activity (Go SEA)

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