UCSF

ZINC43491234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 22 No

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) 2.96 5.06 -115.23 4 6 -1 120 336.389 14
Hi High (pH 8-9.5) 2.96 4.72 -136.29 3 6 -2 119 335.381 14
Lo Low (pH 4.5-6) 2.96 3.91 -54.03 5 6 0 117 337.397 14

Activity (Go SEA)

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