UCSF

ZINC37096928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.63 7.8 -119.39 4 2 2 32 254.805 6
Mid Mid (pH 6-8) 2.63 5.32 -47.92 3 2 1 31 253.797 6
Mid Mid (pH 6-8) 2.63 7.71 -30.41 3 2 1 30 253.797 6

Activity (Go SEA)

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