UCSF

ZINC05657263

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 28 Yes

Other Names:

MFCD02950364

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) 3.53 -3.44 -13.61 3 6 0 90 390.468 5
Lo Low (pH 4.5-6) 3.53 -3.32 -39.54 4 6 1 91 391.476 5

Activity (Go SEA)

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