UCSF

ZINC40162642

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.71 2.91 -46.14 1 7 -1 105 302.328 7
Hi High (pH 8-9.5) 1.71 2.96 -118.35 0 7 -2 107 301.32 7

Activity (Go SEA)

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