UCSF

ZINC50026650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.30 4.92 -12.3 1 6 0 58 328.416 4
Mid Mid (pH 6-8) 1.30 5.27 -38.29 2 6 1 59 329.424 4
Lo Low (pH 4.5-6) 1.30 7.54 -88.93 3 6 2 60 330.432 4

Activity (Go SEA)

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