UCSF

ZINC19905681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 3.56 9.69 -106.42 3 2 2 21 290.373 7
Hi High (pH 8-9.5) 3.56 8.51 -35.35 2 2 1 16 289.365 7

Activity (Go SEA)

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