UCSF

ZINC26339097

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 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) 2.46 4.28 -15.56 2 8 0 100 382.42 4
Mid Mid (pH 6-8) 2.92 3.48 -53.14 1 8 -1 104 381.412 4

Activity (Go SEA)

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