UCSF

ZINC35511836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 3.16 12.79 -17.66 1 5 0 58 398.51 4
Mid Mid (pH 6-8) 3.16 13.17 -33.18 2 5 1 59 399.518 4

Activity (Go SEA)

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