UCSF

ZINC43461040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 Yes

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) 3.82 7.84 -9.67 1 3 0 42 294.196 3
Hi High (pH 8-9.5) 3.82 7.39 -36.94 0 3 -1 40 293.188 3

Activity (Go SEA)

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