UCSF

ZINC04963087

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 20 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) -1.82 -0.77 -24.07 3 8 0 105 298.324 3
Mid Mid (pH 6-8) -1.09 -1.16 -51.19 2 8 -1 103 297.316 3

Activity (Go SEA)

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