UCSF

ZINC02614454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 33 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) 6.75 12.33 -18.54 2 5 0 75 475.639 5
Hi High (pH 8-9.5) 7.21 11.09 -49.35 1 5 -1 78 474.631 5

Activity (Go SEA)

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