UCSF

ZINC37077491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 5.43 7.52 -3.82 2 4 0 57 294.439 9
Lo Low (pH 4.5-6) 5.43 7.55 -22.75 3 4 1 59 295.447 9

Activity (Go SEA)

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