UCSF

ZINC19919618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.11 4.72 -34.24 3 4 1 46 282.795 6
Mid Mid (pH 6-8) 2.11 3.91 -42.06 3 4 1 49 282.795 6
Mid Mid (pH 6-8) 2.11 2.61 -6.21 2 4 0 44 281.787 6
Mid Mid (pH 6-8) 2.11 6.11 -114.85 4 4 2 50 283.803 6

Activity (Go SEA)

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