UCSF

ZINC43800918

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 0.13 3.77 -60.31 3 7 1 86 290.347 3
Hi High (pH 8-9.5) 0.13 2.42 -14.9 2 7 0 81 289.339 3

Activity (Go SEA)

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