UCSF

ZINC19526482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 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) 3.58 12.82 -104.91 2 5 2 38 341.503 6
Mid Mid (pH 6-8) 3.58 12.27 -45 1 5 1 37 340.495 6
Lo Low (pH 4.5-6) 3.58 12.56 -91.18 2 5 2 38 341.503 6

Activity (Go SEA)

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