UCSF

ZINC35864382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 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) 1.83 8.17 -14.29 0 6 0 53 425.504 4
Mid Mid (pH 6-8) 1.83 10.31 -52.41 1 6 1 54 426.512 4

Activity (Go SEA)

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