UCSF

ZINC42869913

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.79 2.04 -51.44 3 4 1 63 249.4 6
Hi High (pH 8-9.5) 1.79 0.6 -9.29 2 4 0 58 248.392 6

Activity (Go SEA)

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