UCSF

ZINC36489945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 24 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) 2.96 5.7 -16.88 3 8 0 120 328.328 6
Mid Mid (pH 6-8) 2.96 6.7 -44.26 2 8 -1 122 327.32 6

Activity (Go SEA)

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