UCSF

ZINC43016441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 26 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) 3.70 7.73 -28.96 3 6 1 69 354.43 5
Mid Mid (pH 6-8) 3.70 7.34 -12.45 2 6 0 68 353.422 5

Activity (Go SEA)

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