UCSF

ZINC39749715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 25 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) 3.07 7.57 -58.13 1 6 -1 88 346.403 4
Lo Low (pH 4.5-6) 3.07 6.13 -11.57 2 6 0 85 347.411 4

Activity (Go SEA)

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