UCSF

ZINC51995713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.84 6.32 -5.35 0 4 0 39 269.385 7
Mid Mid (pH 6-8) 2.84 8.54 -38.44 1 4 1 40 270.393 7

Activity (Go SEA)

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