UCSF

ZINC40853782

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 2.90 5.98 -57.9 4 3 1 57 289.786 4
Hi High (pH 8-9.5) 2.90 5.58 -9.9 3 3 0 55 288.778 4

Activity (Go SEA)

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