UCSF

ZINC34105460

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 30 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) 3.74 5.61 -57.52 3 5 1 63 414.566 4
Hi High (pH 8-9.5) 3.74 4.11 -9.67 2 5 0 62 413.558 4

Activity (Go SEA)

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