UCSF

ZINC20401767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 2.71 5.1 -47.66 3 3 1 40 265.421 9
Mid Mid (pH 6-8) 2.70 7.09 -31.49 3 3 1 40 265.421 9
Mid Mid (pH 6-8) 2.71 7.28 -111.15 4 3 2 41 266.429 9

Activity (Go SEA)

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