UCSF

ZINC43414050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.62 7.07 -95.54 4 4 2 58 270.417 5
Hi High (pH 8-9.5) 0.62 4.7 -53.14 3 4 1 57 269.409 5

Activity (Go SEA)

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