UCSF

ZINC41184173

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 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) 2.15 6.7 -14.17 0 6 0 72 342.424 7
Lo Low (pH 4.5-6) 2.15 7.16 -41.91 1 6 1 73 343.432 7

Activity (Go SEA)

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