UCSF

ZINC36861115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.66 6.61 -41.71 3 5 1 56 279.408 5
Mid Mid (pH 6-8) 1.66 4.41 -7.29 2 5 0 55 278.4 5

Activity (Go SEA)

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