UCSF

ZINC01788239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 20 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) 3.63 7.8 -11.84 1 3 0 46 321.81 2
Hi High (pH 8-9.5) 4.09 5.89 -46.03 0 3 -1 49 320.802 2

Activity (Go SEA)

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