UCSF

ZINC24823273

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 32 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) 3.86 10.94 -58.65 1 7 1 73 435.548 7
Mid Mid (pH 6-8) 3.86 8.69 -14.94 0 7 0 72 434.54 7

Activity (Go SEA)

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