UCSF

ZINC02614329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 34 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) 7.21 13.37 -17.43 2 5 0 75 489.666 6
Hi High (pH 8-9.5) 7.66 12.12 -48.65 1 5 -1 78 488.658 6

Activity (Go SEA)

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