UCSF

ZINC41420387

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) 2.89 7.85 -40.56 2 4 1 46 368.885 5
Hi High (pH 8-9.5) 2.89 5.62 -11.34 1 4 0 45 367.877 5

Activity (Go SEA)

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