UCSF

ZINC13659298

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 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) 4.95 8.06 -17.22 2 5 0 75 399.541 5
Mid Mid (pH 6-8) 5.41 6.82 -47.49 1 5 -1 78 398.533 5

Activity (Go SEA)

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