UCSF

ZINC35859599

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) 3.79 12.12 -22.61 0 6 0 53 461.606 5
Mid Mid (pH 6-8) 3.79 14.49 -62.26 1 6 1 54 462.614 5

Activity (Go SEA)

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