UCSF

ZINC20137093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 28 Yes

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) 0.31 2.65 -16.85 2 8 0 106 400.46 4
Hi High (pH 8-9.5) 1.22 0.51 -51.31 1 8 -1 109 399.452 4
Lo Low (pH 4.5-6) 0.31 4.88 -60.53 3 8 1 108 401.468 4

Activity (Go SEA)

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