UCSF

ZINC06416157

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 22 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) 3.18 4.73 -11.71 1 5 0 68 332.303 5
Hi High (pH 8-9.5) 3.18 4.79 -46.65 0 5 -1 70 331.295 5
Lo Low (pH 4.5-6) 3.18 5.13 -34.33 2 5 1 70 333.311 5

Activity (Go SEA)

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