UCSF

ZINC31959791

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 2.06 4.84 -56.71 4 4 1 70 276.385 3
Hi High (pH 8-9.5) 1.88 2.92 -45.27 2 4 -1 74 274.369 3
Mid Mid (pH 6-8) 2.06 4.46 -13.24 3 4 0 68 275.377 3
Mid Mid (pH 6-8) 1.88 3.77 -47.27 3 4 0 76 275.377 3

Activity (Go SEA)

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