UCSF

ZINC35881153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 1.38 4.17 -15.65 1 8 0 75 469.582 9
Mid Mid (pH 6-8) 1.38 6.44 -43.69 2 8 1 76 470.59 9

Activity (Go SEA)

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