UCSF

ZINC37795454

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.49 5.35 -52.87 1 5 -1 78 246.242 3
Lo Low (pH 4.5-6) 1.49 3.41 -16.22 2 5 0 76 247.25 3

Activity (Go SEA)

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