UCSF

ZINC26404431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 41 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) 6.08 15.15 -46.35 0 9 -1 110 542.623 11
Mid Mid (pH 6-8) 6.08 16.88 -66.23 1 9 0 111 543.631 11
Lo Low (pH 4.5-6) 6.08 17.31 -92.91 2 9 1 112 544.639 11
Lo Low (pH 4.5-6) 6.08 15.61 -40.72 1 9 0 111 543.631 11

Activity (Go SEA)

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