UCSF

ZINC40858652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.49 13.39 -17.62 1 5 0 60 509.425 8
Hi High (pH 8-9.5) 6.68 10.88 -45.15 0 5 -1 67 508.417 8

Activity (Go SEA)

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