UCSF

ZINC25499618

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 No

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) 3.92 12.33 -15.99 2 9 0 130 408.414 7
Hi High (pH 8-9.5) 4.38 10.92 -58.38 1 9 -1 133 407.406 7

Activity (Go SEA)

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