UCSF

ZINC39912527

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 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) 6.01 12.84 -17.13 2 7 0 88 529.612 9
Hi High (pH 8-9.5) 5.78 13.39 -45.58 0 7 -1 87 528.604 9
Hi High (pH 8-9.5) 5.78 13.09 -58.75 0 7 -1 87 528.604 9
Hi High (pH 8-9.5) 6.01 13.99 -39.93 1 7 -1 91 528.604 9

Activity (Go SEA)

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