UCSF

ZINC00539863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.27 -0.24 -16.7 1 6 0 72 290.71 2
Mid Mid (pH 6-8) 2.27 -0.02 -49.15 2 6 1 73 291.718 2

Activity (Go SEA)

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