UCSF

ZINC19208759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 2.88 5.35 -12.34 1 6 0 73 413.49 6
Hi High (pH 8-9.5) 2.88 5 -39.39 0 6 -1 75 412.482 6

Activity (Go SEA)

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