UCSF

ZINC19913274

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) 3.19 8.57 -41.92 2 2 1 20 269.412 8
Hi High (pH 8-9.5) 3.20 9.6 -37.83 2 2 1 16 269.412 8

Activity (Go SEA)

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