UCSF

ZINC42781981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.44 4.88 -41.89 3 2 1 31 239.305 8
Lo Low (pH 4.5-6) 2.44 6.43 -123.54 4 2 2 32 240.313 8

Activity (Go SEA)

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