UCSF

ZINC05083995

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 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) 3.61 -4.64 -23.39 1 5 0 63 371.487 4
Hi High (pH 8-9.5) 3.61 -4.06 -67.38 0 5 -1 66 370.479 4

Activity (Go SEA)

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