UCSF

ZINC43080570

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.04 2.98 -11.1 2 5 0 82 280.711 4
Hi High (pH 8-9.5) 2.04 3.9 -49.19 1 5 -1 85 279.703 4

Activity (Go SEA)

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