UCSF

ZINC20188879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.19 10.85 -40.65 2 3 1 37 355.527 3
Mid Mid (pH 6-8) 5.19 10.18 -29.34 1 3 0 36 354.519 3
Mid Mid (pH 6-8) 5.19 10.56 -15.53 1 3 0 36 354.519 3

Activity (Go SEA)

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