UCSF

ZINC21792860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.45 9.18 -45.06 3 2 1 37 284.423 5
Hi High (pH 8-9.5) 3.45 8.78 -4.81 2 2 0 35 283.415 5

Activity (Go SEA)

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