UCSF

ZINC36154311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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 7.85 -51.7 3 4 1 62 332.836 4
Mid Mid (pH 6-8) 3.63 5.52 -40.88 2 4 0 65 331.828 4

Activity (Go SEA)

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