UCSF

ZINC44726680

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.50 4.33 -92.02 5 4 2 61 241.379 4
Hi High (pH 8-9.5) 0.50 1.65 -4.79 3 4 0 58 239.363 4
Mid Mid (pH 6-8) 0.50 4 -38.48 4 4 1 60 240.371 4

Activity (Go SEA)

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