UCSF

ZINC05204342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 23 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) 1.83 -3.28 -17.18 1 6 0 81 329.381 3
Hi High (pH 8-9.5) 1.83 -2.7 -44.35 0 6 -1 83 328.373 3

Activity (Go SEA)

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