UCSF

ZINC37840412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.13 2.25 -50.35 2 6 1 75 284.361 2
Hi High (pH 8-9.5) 0.58 -1.92 -45.78 0 6 -1 77 282.345 2
Mid Mid (pH 6-8) 0.13 0.12 -13.1 1 6 0 73 283.353 2

Activity (Go SEA)

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