UCSF

ZINC20179787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.37 4.18 -41.66 2 3 1 23 220.34 4
Lo Low (pH 4.5-6) 1.37 6.54 -119.84 3 3 2 24 221.348 4
Lo Low (pH 4.5-6) 1.37 5.14 -36.19 2 3 1 20 220.34 4

Activity (Go SEA)

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