UCSF

ZINC36723063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 16 No

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) -0.57 3.58 -34.15 3 5 0 86 220.228 3
Mid Mid (pH 6-8) -0.57 2.33 -50.01 2 5 -1 81 219.22 3
Mid Mid (pH 6-8) -0.57 2.35 -48.77 2 5 -1 81 219.22 3

Activity (Go SEA)

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