UCSF

ZINC19809054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 3.48 4.17 -16.01 3 5 0 82 284.315 3
Hi High (pH 8-9.5) 3.48 5.03 -62.16 2 5 -1 85 283.307 3

Activity (Go SEA)

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