UCSF

ZINC57906041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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 9.98 -54.28 2 5 1 81 357.503 3
Mid Mid (pH 6-8) 3.18 7.81 -11.72 1 5 0 80 356.495 3

Activity (Go SEA)

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