UCSF

ZINC21813099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 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) -0.37 -0.38 -49.73 3 5 0 100 239.3 5
Hi High (pH 8-9.5) -0.37 -0.4 -14.69 3 5 0 96 239.3 5
Mid Mid (pH 6-8) -0.37 0.01 -65.17 4 5 1 98 240.308 5

Activity (Go SEA)

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