UCSF

ZINC33690079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) -0.20 9.68 -33.92 4 8 1 110 449.56 7
Mid Mid (pH 6-8) 1.86 9.59 -13.21 3 8 0 109 448.552 7

Activity (Go SEA)

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