UCSF

ZINC53159719

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.65 9.99 -8.99 1 3 0 38 336.869 2
Mid Mid (pH 6-8) 4.10 8.87 -36.4 0 3 -1 41 335.861 2

Activity (Go SEA)

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