UCSF

ZINC57307845

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 19 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) 3.24 4.18 -9.26 2 3 0 49 279.698 3
Hi High (pH 8-9.5) 3.24 4.95 -46.22 1 3 -1 52 278.69 3

Activity (Go SEA)

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