UCSF

ZINC28295807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 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) 2.30 5.81 -39.08 2 5 1 50 325.436 5
Mid Mid (pH 6-8) 2.30 7.84 -49.75 2 5 1 50 325.436 5
Mid Mid (pH 6-8) 2.30 5.52 -13.72 1 5 0 48 324.428 5
Lo Low (pH 4.5-6) 2.30 8.13 -106.67 3 5 2 51 326.444 5

Activity (Go SEA)

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