UCSF

ZINC50534580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 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) 3.18 5.34 -12.5 1 6 0 78 356.403 6
Hi High (pH 8-9.5) 3.18 5.31 -50.04 0 6 -1 80 355.395 6
Mid Mid (pH 6-8) 3.18 5.79 -42.55 2 6 1 79 357.411 6

Activity (Go SEA)

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