UCSF

ZINC21548762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 6.19 9.12 -11.5 2 8 0 116 414.487 6
Mid Mid (pH 6-8) 6.19 9.17 -41.6 1 8 -1 118 413.479 6

Activity (Go SEA)

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