UCSF

ZINC51103617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 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) 2.32 8.92 -24.1 2 7 0 89 413.481 7
Lo Low (pH 4.5-6) 2.32 9.79 -91.76 4 7 2 91 415.497 7
Lo Low (pH 4.5-6) 2.32 9.38 -43.83 3 7 1 90 414.489 7

Activity (Go SEA)

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