UCSF

ZINC66378275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 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) 2.92 5.4 -42.76 2 4 1 43 323.24 9
Hi High (pH 8-9.5) 2.92 3.05 -7.39 1 4 0 42 322.232 9

Activity (Go SEA)

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