UCSF

ZINC40847322

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 31 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) 7.69 14.98 -46.75 0 2 -1 40 425.677 2
Lo Low (pH 4.5-6) 7.69 13.3 -3.58 1 2 0 37 426.685 2

Activity (Go SEA)

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