UCSF

ZINC36612655

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 36 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) 4.42 11.33 -48.77 1 8 1 94 507.588 9
Mid Mid (pH 6-8) 4.42 8.84 -19.47 0 8 0 93 506.58 9

Activity (Go SEA)

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