UCSF

ZINC21797082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.58 2.7 -37.05 3 5 1 58 355.256 5
Mid Mid (pH 6-8) 1.58 1.42 -9.38 2 5 0 54 354.248 5
Mid Mid (pH 6-8) 1.58 3.75 -39.11 3 5 1 55 355.256 5
Mid Mid (pH 6-8) 1.58 5.03 -101.5 4 5 2 59 356.264 5

Activity (Go SEA)

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