UCSF

ZINC21474749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2008 26 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) -0.68 2.82 -18.53 2 8 0 99 356.382 2
Hi High (pH 8-9.5) -0.49 1.03 -52.17 1 8 -1 105 355.374 2

Activity (Go SEA)

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