UCSF

ZINC36370068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 2.02 11.13 -93.48 1 8 -1 102 414.482 9
Hi High (pH 8-9.5) 2.02 8.92 -103.76 0 8 -2 101 413.474 9
Mid Mid (pH 6-8) 2.02 10.93 -63.92 1 8 -1 102 414.482 9

Activity (Go SEA)

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