UCSF

ZINC37822182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Other Names:

MFCD13247226

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 4.2 -42.37 3 4 1 61 250.366 5
Hi High (pH 8-9.5) 0.48 3.92 -6.32 2 4 0 59 249.358 5
Lo Low (pH 4.5-6) 0.48 4.67 -88.9 4 4 2 62 251.374 5

Activity (Go SEA)

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