UCSF

ZINC41348333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 25 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) 3.27 10.29 -53.95 1 4 1 28 346.401 4
Hi High (pH 8-9.5) 3.27 7.81 -11.94 0 4 0 27 345.393 4

Activity (Go SEA)

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