UCSF

ZINC51739095

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 22 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) 3.15 8.96 -37.83 1 4 1 36 304.41 9
Mid Mid (pH 6-8) 3.15 6.93 -6.7 0 4 0 35 303.402 9

Activity (Go SEA)

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