UCSF

ZINC16384913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.49 9.89 -37.24 2 4 1 37 318.485 7
Hi High (pH 8-9.5) 3.49 7.92 -6.74 1 4 0 36 317.477 7

Activity (Go SEA)

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