UCSF

ZINC52164621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 2.65 6.08 -36.07 2 4 1 37 268.425 8
Mid Mid (pH 6-8) 2.65 3.79 -7.31 1 4 0 36 267.417 8
Mid Mid (pH 6-8) 2.65 5.97 -37.15 2 4 1 37 268.425 8

Activity (Go SEA)

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