UCSF

ZINC24224249

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 20 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) 1.37 5.42 -51.48 2 5 1 54 341.229 4
Mid Mid (pH 6-8) 1.37 3.16 -11.99 1 5 0 53 340.221 4

Activity (Go SEA)

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