UCSF

ZINC19969520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 2.46 7.81 -45.47 3 1 1 28 262.323 3
Hi High (pH 8-9.5) 2.46 7.67 -3.5 2 1 0 26 261.315 3

Activity (Go SEA)

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