UCSF

ZINC20048072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.52 7.86 -105.83 3 4 2 47 244.379 8
Mid Mid (pH 6-8) 1.52 6.45 -35.17 2 4 1 43 243.371 8
Mid Mid (pH 6-8) 1.52 5.64 -42.46 2 4 1 46 243.371 8

Activity (Go SEA)

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