UCSF

ZINC35395245

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 22 Yes

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) -0.49 4.18 -43.97 0 7 -1 86 309.342 8
Mid Mid (pH 6-8) -0.49 6.45 -58.93 1 7 0 87 310.35 8

Activity (Go SEA)

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