UCSF

ZINC57867229

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 28 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) 0.66 5.63 -90.2 4 8 2 89 391.516 7
Hi High (pH 8-9.5) 0.66 3.13 -13.46 2 8 0 87 389.5 7
Mid Mid (pH 6-8) 0.66 5.3 -43.09 3 8 1 88 390.508 7
Mid Mid (pH 6-8) 0.66 3.47 -41.06 3 8 1 88 390.508 7

Activity (Go SEA)

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