UCSF

ZINC37780874

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.50 6.9 -5.12 1 3 0 34 276.767 5
Lo Low (pH 4.5-6) 3.50 7.36 -35.56 2 3 1 35 277.775 5

Activity (Go SEA)

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