UCSF

ZINC21811463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 No

Download: MOL2 SDF SMILES Flexibase

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) 0.38 -0.36 -61.45 4 7 1 120 280.713 5
Hi High (pH 8-9.5) 0.38 -0.76 -51.57 3 7 0 122 279.705 5

Activity (Go SEA)

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