UCSF

ZINC28219351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 18 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) 0.40 5.07 -168.65 5 4 3 41 259.462 10
Hi High (pH 8-9.5) 0.40 1.27 -38.65 3 4 1 35 257.446 10
Mid Mid (pH 6-8) 0.40 2.68 -87.37 4 4 2 40 258.454 10

Activity (Go SEA)

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