UCSF

ZINC01290397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 30 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) 6.00 10.35 -18.53 2 5 0 75 435.574 5
Hi High (pH 8-9.5) 6.45 9.12 -48.57 1 5 -1 78 434.566 5

Activity (Go SEA)

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