UCSF

ZINC06130726

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 29 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) 3.88 -4.12 -9.42 1 6 0 75 457.379 4
Hi High (pH 8-9.5) 3.88 -3.54 -38.01 0 6 -1 77 456.371 4

Activity (Go SEA)

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