UCSF

ZINC19687662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 0.27 1.21 -50.63 4 6 1 80 297.423 4
Hi High (pH 8-9.5) 0.27 0.84 -11.41 3 6 0 79 296.415 4
Mid Mid (pH 6-8) 0.27 3.06 -46.47 4 6 1 80 297.423 4

Activity (Go SEA)

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