UCSF

ZINC31917601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -1.09 1.27 -58.24 4 6 1 87 295.359 6
Hi High (pH 8-9.5) -1.09 0.99 -10.41 3 6 0 85 294.351 6

Activity (Go SEA)

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