UCSF

ZINC31964158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.88 3.52 -60.94 5 5 1 86 322.747 4
Hi High (pH 8-9.5) 1.88 3.13 -17.5 4 5 0 84 321.739 4

Activity (Go SEA)

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