UCSF

ZINC20504789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 15 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) 2.61 3.72 -46.45 4 3 1 57 401.904 2
Hi High (pH 8-9.5) 2.61 3.4 -5.96 3 3 0 55 400.896 2

Activity (Go SEA)

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