UCSF

ZINC33690077

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 28 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) -1.40 8.42 -33.78 3 8 1 101 399.5 5
Mid Mid (pH 6-8) 0.66 8.26 -11.61 2 8 0 100 398.492 5

Activity (Go SEA)

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