UCSF

ZINC05686790

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 21 Yes

Other Names:

MFCD01083282

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) 3.91 6.83 -12.33 1 4 0 60 282.295 3
Hi High (pH 8-9.5) 3.91 7.59 -42.56 0 4 -1 63 281.287 3

Activity (Go SEA)

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