UCSF

ZINC37012031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.42 3.99 -48.71 4 5 1 73 249.338 4
Hi High (pH 8-9.5) 0.42 3.69 -8.92 3 5 0 71 248.33 4
Mid Mid (pH 6-8) 0.42 4.18 -87.31 5 5 2 74 250.346 4

Activity (Go SEA)

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