UCSF

ZINC57926610

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 1.58 7.5 -22.24 2 6 0 78 348.406 3
Lo Low (pH 4.5-6) 1.58 7.98 -49.48 3 6 1 79 349.414 3

Activity (Go SEA)

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