UCSF

ZINC53156478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.07 4.61 -11.12 2 3 0 41 270.735 5
Lo Low (pH 4.5-6) 2.07 5.78 -50.14 3 3 1 46 271.743 5

Activity (Go SEA)

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