UCSF

ZINC37080767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.54 5.44 -122.12 4 4 2 51 329.238 4
Hi High (pH 8-9.5) 1.54 5.68 -33.09 3 4 1 49 328.23 4
Mid Mid (pH 6-8) 1.54 3.42 -48.93 3 4 1 49 328.23 4

Activity (Go SEA)

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