UCSF

ZINC01228545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 26 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) 3.01 8.23 -22.19 1 6 0 73 371.462 5
Hi High (pH 8-9.5) 3.01 8.75 -72.54 0 6 -1 75 370.454 5

Activity (Go SEA)

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