UCSF

ZINC42411423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 1.06 0.72 -42.37 4 4 1 66 291.165 7
Hi High (pH 8-9.5) 1.06 0.31 -7.92 3 4 0 65 290.157 7

Activity (Go SEA)

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