UCSF

ZINC26547500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 21 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) 2.89 4.31 -48.19 0 4 -1 57 312.317 5
Mid Mid (pH 6-8) 2.89 3.9 -9.23 1 4 0 55 313.325 5

Activity (Go SEA)

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