UCSF

ZINC34971231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 6.45 15.56 -10.42 0 5 0 42 514.71 14
Mid Mid (pH 6-8) 6.45 17.82 -54.49 1 5 1 43 515.718 14

Activity (Go SEA)

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