UCSF

ZINC39898681

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 4.72 8.57 -9.84 2 6 0 78 421.884 7
Mid Mid (pH 6-8) 4.72 9.33 -45.77 1 6 -1 81 420.876 7

Activity (Go SEA)

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