UCSF

ZINC09330039

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 26 No

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) 4.63 10.65 -57.18 0 4 -1 60 413.291 6
Mid Mid (pH 6-8) 4.04 0 -9.39 0 4 0 54 414.299 6
Lo Low (pH 4.5-6) 4.63 9.82 -13.32 1 4 0 58 414.299 6

Activity (Go SEA)

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