UCSF

ZINC28397323

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 30 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) -1.27 5.37 -102.61 3 8 0 111 413.405 4
Hi High (pH 8-9.5) -1.27 3.95 -65.28 2 8 -1 107 412.397 4
Mid Mid (pH 6-8) -4.02 4.4 -75.31 4 8 1 114 414.413 3

Activity (Go SEA)

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