UCSF

ZINC31894500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.37 6.91 -49.41 2 3 1 33 302.467 2
Hi High (pH 8-9.5) 3.37 5.49 -5.77 1 3 0 28 301.459 2

Activity (Go SEA)

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