UCSF

ZINC49605258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 8.48 20.81 -27.77 2 5 1 57 546.735 10
Hi High (pH 8-9.5) 8.48 21.67 -17.98 1 5 0 56 545.727 10
Mid Mid (pH 6-8) 8.48 21.81 -88.57 3 5 2 61 547.743 10

Activity (Go SEA)

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