UCSF

ZINC36159599

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.75 6.47 -15.05 2 6 0 82 399.516 9
Mid Mid (pH 6-8) 2.75 9.1 -51.59 3 6 1 84 400.524 9

Activity (Go SEA)

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