UCSF

ZINC41659055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 3.91 7.32 -9.17 0 6 0 55 434.536 6
Mid Mid (pH 6-8) 3.91 9.58 -46.99 1 6 1 56 435.544 6

Activity (Go SEA)

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