UCSF

ZINC43900463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.68 5.51 -47.83 2 4 1 38 307.336 8
Hi High (pH 8-9.5) 2.68 2.22 -5.9 1 4 0 34 306.328 8

Activity (Go SEA)

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