UCSF

ZINC23644770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 28 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) 2.42 4.56 -22.19 2 9 0 115 414.472 6
Hi High (pH 8-9.5) 2.42 5.34 -51.2 1 9 -1 118 413.464 6

Activity (Go SEA)

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