UCSF

ZINC39765523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 3.50 9.25 -29.16 3 8 0 113 457.515 6
Hi High (pH 8-9.5) 3.57 7.58 -66.55 2 8 -1 119 456.507 6

Activity (Go SEA)

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