UCSF

ZINC36881787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.43 4.6 -10.51 1 3 0 46 279.814 6
Mid Mid (pH 6-8) 2.43 4.67 -43.33 0 3 -1 48 278.806 6

Activity (Go SEA)

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