UCSF

ZINC37039475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -1.39 -0.75 -48.84 5 6 1 90 250.326 4
Lo Low (pH 4.5-6) -1.39 -0.28 -90.18 6 6 2 91 251.334 4

Activity (Go SEA)

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