UCSF

ZINC31959009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.26 2.05 -62.64 4 5 1 83 229.329 6
Mid Mid (pH 6-8) 0.44 0.98 -59 3 5 0 89 228.321 6

Activity (Go SEA)

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