UCSF

ZINC08214539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 39 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) -5.13 -15.3 -155.29 19 18 3 322 570.621 11
Mid Mid (pH 6-8) -5.13 -16.5 -92.85 18 18 2 318 569.613 11

Activity (Go SEA)

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