UCSF

ZINC38208163

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 23 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) 3.85 7.75 -9.48 1 3 0 38 331.753 4
Lo Low (pH 4.5-6) 3.85 8.22 -41.73 2 3 1 39 332.761 4

Activity (Go SEA)

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