UCSF

ZINC45696505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 2.03 3.64 -8.99 2 5 0 67 295.77 6
Mid Mid (pH 6-8) 2.49 2.43 -44.56 2 5 0 75 295.77 6
Mid Mid (pH 6-8) 2.03 5 -55.05 3 5 1 72 296.778 6

Activity (Go SEA)

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