UCSF

ZINC13410406

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 15 No

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) 3.92 7.58 -5.67 0 1 0 12 195.265 2
Ref Reference (pH 7) 3.92 8.01 -6.09 0 1 0 12 195.265 2
Lo Low (pH 4.5-6) 3.92 7.98 -29.28 1 1 1 14 196.273 2

Activity (Go SEA)

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