UCSF

ZINC36154524

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.90 7.52 -12.92 2 6 0 84 369.446 8
Mid Mid (pH 6-8) 2.90 8.91 -66.27 3 6 1 89 370.454 8

Activity (Go SEA)

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