UCSF

ZINC31933210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 4.08 10.73 -42.01 1 4 1 31 330.839 4
Mid Mid (pH 6-8) 4.08 8.19 -7.77 0 4 0 30 329.831 4
Lo Low (pH 4.5-6) 4.08 11.15 -94.96 2 4 2 32 331.847 4

Activity (Go SEA)

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