UCSF

ZINC35016956

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 No

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) 2.85 7.63 -31.19 1 4 -1 57 345.778 4
Mid Mid (pH 6-8) 3.60 8.73 -10.56 2 4 0 50 346.786 5

Activity (Go SEA)

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