UCSF

ZINC53139037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 25 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) 2.27 5.99 -58.98 4 5 1 77 378.905 5
Hi High (pH 8-9.5) 2.27 3.76 -18.88 3 5 0 75 377.897 5

Activity (Go SEA)

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