UCSF

ZINC19908448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 5.61 9.86 -11.53 1 5 0 65 380.44 6
Hi High (pH 8-9.5) 5.61 10.68 -52.77 0 5 -1 68 379.432 6

Activity (Go SEA)

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