UCSF

ZINC37092780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.39 3.99 -35.52 2 4 1 37 226.344 3
Hi High (pH 8-9.5) 0.39 1.8 -7.18 1 4 0 36 225.336 3
Mid Mid (pH 6-8) 0.39 5.29 -97.2 3 4 2 41 227.352 3

Activity (Go SEA)

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