UCSF

ZINC34667978

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.55 5.92 -13.15 2 7 0 78 412.534 9
Mid Mid (pH 6-8) 2.55 8.14 -46.97 3 7 1 79 413.542 9
Lo Low (pH 4.5-6) 2.55 8.47 -104.37 4 7 2 80 414.55 9

Activity (Go SEA)

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