UCSF

ZINC09575130

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2007 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.66 -18.32 -437.77 20 14 5 276 472.56 6
Hi High (pH 8-9.5) -5.66 -19.27 -127.58 17 14 2 271 469.536 6
Hi High (pH 8-9.5) -5.66 -19.6 -100.03 17 14 2 271 469.536 6
Mid Mid (pH 6-8) -5.66 -18.8 -321.8 19 14 4 275 471.552 6

Activity (Go SEA)

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