UCSF

ZINC20595085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 Yes

Other Names:

MFCD12642812

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) 3.88 6 -8.27 2 3 0 41 295.741 5
Hi High (pH 8-9.5) 3.88 6.76 -42.85 1 3 -1 44 294.733 5

Activity (Go SEA)

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