UCSF

ZINC41474751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 17 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) 2.94 5.36 -32.57 2 3 1 35 251.737 5
Hi High (pH 8-9.5) 2.94 4.93 -6.48 1 3 0 34 250.729 5

Activity (Go SEA)

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