UCSF

ZINC25526204

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 4.24 11.79 -27.16 1 7 0 74 445.519 11
Mid Mid (pH 6-8) 4.24 12.23 -46.6 2 7 1 75 446.527 11

Activity (Go SEA)

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