UCSF

ZINC34952616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 25 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) 1.65 2.87 -13.32 2 6 0 71 351.422 8
Mid Mid (pH 6-8) 1.65 5.14 -50.94 3 6 1 72 352.43 8

Activity (Go SEA)

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