UCSF

ZINC33828503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 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) 3.58 8.58 -11.46 1 6 0 71 397.5 5
Lo Low (pH 4.5-6) -0.09 9.54 -36.24 2 6 1 70 398.508 6

Activity (Go SEA)

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