UCSF

ZINC36333119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 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) 3.91 9.67 -47.51 3 7 1 81 456.607 11
Hi High (pH 8-9.5) 3.91 7.37 -11.03 2 7 0 80 455.599 11

Activity (Go SEA)

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