UCSF

ZINC20364634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 0.56 3.89 -49.11 3 6 1 75 282.364 6
Hi High (pH 8-9.5) 0.56 2.77 -14.82 2 6 0 71 281.356 6

Activity (Go SEA)

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