UCSF

ZINC23385695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 4.50 6.16 -53.33 1 6 -1 94 451.496 6
Hi High (pH 8-9.5) 4.50 6.24 -119.16 0 6 -2 96 450.488 6
Mid Mid (pH 6-8) 4.50 6.09 -20.18 2 6 0 92 452.504 6

Activity (Go SEA)

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