UCSF

ZINC25452038

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 2.09 0.6 -21.81 3 6 0 106 360.844 5
Hi High (pH 8-9.5) 2.09 1.35 -95.31 1 6 -2 106 358.828 5
Mid Mid (pH 6-8) 2.09 0.67 -55.55 2 6 -1 108 359.836 5

Activity (Go SEA)

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