UCSF

ZINC21715642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 2.92 9.04 -14.63 1 6 0 67 413.477 4
Lo Low (pH 4.5-6) 2.92 9.47 -60.84 2 6 1 69 414.485 4

Activity (Go SEA)

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