UCSF

ZINC44685031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.48 7.58 -29.98 2 2 1 16 225.4 7
Lo Low (pH 4.5-6) 3.48 6.36 -35.85 2 2 1 20 225.4 7
Lo Low (pH 4.5-6) 3.48 8.46 -104.48 3 2 2 21 226.408 7

Activity (Go SEA)

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