UCSF

ZINC31978492

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 3.30 8.04 -97.98 4 3 2 41 278.44 6
Hi High (pH 8-9.5) 3.30 5.89 -43.7 3 3 1 40 277.432 6

Activity (Go SEA)

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