UCSF

ZINC41512601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 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) 5.45 10.36 -37.11 2 4 1 51 371.888 4
Mid Mid (pH 6-8) 5.45 11.13 -22.26 1 4 0 54 370.88 4

Activity (Go SEA)

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