UCSF

ZINC21797872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 Yes

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) 2.36 1.57 -14.22 3 5 0 84 284.381 2
Hi High (pH 8-9.5) 2.36 2.01 -44.94 2 5 -1 86 283.373 2

Activity (Go SEA)

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