UCSF

ZINC39979189

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 24 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) 2.67 8.54 -53.92 2 6 1 63 360.488 3
Hi High (pH 8-9.5) 2.74 4.36 -57.2 0 6 -1 68 358.472 3
Mid Mid (pH 6-8) 2.67 6.19 -12.68 1 6 0 61 359.48 3

Activity (Go SEA)

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