UCSF

ZINC38087902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 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) 1.25 2.43 -35.29 2 3 1 23 226.388 4
Mid Mid (pH 6-8) 1.25 4.63 -115.36 3 3 2 24 227.396 4
Lo Low (pH 4.5-6) 1.25 6.98 -197.46 4 3 3 25 228.404 4

Activity (Go SEA)

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