UCSF

ZINC20497195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 24 Yes

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) 3.54 8.5 -41.53 2 4 1 37 348.829 3
Mid Mid (pH 6-8) 3.54 6.03 -6.31 1 4 0 36 347.821 3

Activity (Go SEA)

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