UCSF

ZINC39269365

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 2.22 5.99 -7.86 0 2 0 18 180.638 0
Lo Low (pH 4.5-6) 2.22 6.43 -28.24 1 2 1 19 181.646 0

Activity (Go SEA)

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