UCSF

ZINC20267773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 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) 2.13 7.43 -62.99 0 9 -1 95 506.579 8
Mid Mid (pH 6-8) 2.13 9.76 -82.71 1 9 0 96 507.587 8

Activity (Go SEA)

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