UCSF

ZINC31963655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.98 2.95 -56.57 4 5 1 79 278.357 5
Hi High (pH 8-9.5) 1.16 1.82 -57.57 3 5 0 85 277.349 5

Activity (Go SEA)

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