UCSF

ZINC12236622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 22 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) 0.95 -1.77 -14.42 1 6 0 77 316.386 3
Lo Low (pH 4.5-6) 0.95 -2.12 -34.68 2 6 1 78 317.394 3

Activity (Go SEA)

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