UCSF

ZINC19901169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.19 4.86 -32.57 3 4 1 46 294.394 6
Mid Mid (pH 6-8) 2.19 4.09 -42.52 3 4 1 49 294.394 6
Mid Mid (pH 6-8) 2.19 2.79 -5.99 2 4 0 44 293.386 6
Mid Mid (pH 6-8) 2.19 6.15 -116.25 4 4 2 50 295.402 6

Activity (Go SEA)

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