UCSF

ZINC42769391

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 3.40 10.26 -84.43 3 3 2 24 297.462 8
Hi High (pH 8-9.5) 3.40 7.8 -41.88 2 3 1 23 296.454 8

Activity (Go SEA)

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