UCSF

ZINC31958907

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 1.32 3.98 -64.74 4 7 1 93 327.364 5
Mid Mid (pH 6-8) 1.32 3.6 -20.36 3 7 0 91 326.356 5
Lo Low (pH 4.5-6) 1.32 4.48 -92.35 5 7 2 94 328.372 5

Activity (Go SEA)

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