UCSF

ZINC40751477

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 18 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) -2.17 -5.07 -19.27 4 8 0 126 257.246 6
Hi High (pH 8-9.5) -1.72 -6.93 -47.93 3 8 -1 130 256.238 6

Activity (Go SEA)

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