UCSF

ZINC39355681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 31 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) 3.31 8.6 -95.52 3 6 2 74 441.959 6
Hi High (pH 8-9.5) 3.31 6.58 -29.78 2 6 1 73 440.951 6

Activity (Go SEA)

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