UCSF

ZINC20434050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 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) 0.72 0.5 -50.4 4 4 1 66 261.223 2
Hi High (pH 8-9.5) 0.72 -0.8 -13.09 3 4 0 61 260.215 2

Activity (Go SEA)

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