UCSF

ZINC39762245

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.61 5.06 -15.33 2 7 0 97 364.405 6
Hi High (pH 8-9.5) 3.67 3.99 -51.3 1 7 -1 103 363.397 6

Activity (Go SEA)

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