UCSF

ZINC41420795

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 23 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) 2.03 5.26 -17.82 0 6 0 59 318.373 5
Lo Low (pH 4.5-6) 2.03 7.41 -60.49 1 6 1 60 319.381 5

Activity (Go SEA)

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