UCSF

ZINC31021213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 3.48 5.7 -52.49 2 7 -1 106 474.921 8
Mid Mid (pH 6-8) 3.48 5.63 -24.04 3 7 0 104 475.929 8

Activity (Go SEA)

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