UCSF

ZINC53134508

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) 2.73 5.99 -7.09 1 2 0 33 265.715 4
Lo Low (pH 4.5-6) 2.73 6.44 -32.69 2 2 1 34 266.723 4

Activity (Go SEA)

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