UCSF

ZINC64805950

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2011 18 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) 3.12 8.02 -31.92 1 4 1 40 260.398 10
Mid Mid (pH 6-8) 3.12 6.52 -4.2 0 4 0 39 259.39 10

Activity (Go SEA)

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