UCSF

ZINC43900600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.67 5.17 -36.1 2 3 1 29 277.31 7
Hi High (pH 8-9.5) 2.67 3.43 -5.57 1 3 0 24 276.302 7

Activity (Go SEA)

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