UCSF

ZINC43388435

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.94 7.68 -54.82 2 2 1 29 265.739 4
Hi High (pH 8-9.5) 2.94 6.56 -7.37 1 2 0 25 264.731 4

Activity (Go SEA)

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