UCSF

ZINC39765398

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 28 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) 2.64 6.6 -19.18 2 8 0 102 398.444 7
Hi High (pH 8-9.5) 2.70 5.76 -50.68 1 8 -1 109 397.436 7

Activity (Go SEA)

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