UCSF

ZINC41348202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 24 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) 3.18 10.24 -50.83 1 4 1 28 328.411 4
Hi High (pH 8-9.5) 3.18 7.76 -9.68 0 4 0 27 327.403 4

Activity (Go SEA)

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