UCSF

ZINC04875863

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 3.89 13.26 -10.48 1 8 0 95 414.437 6
Hi High (pH 8-9.5) 4.07 13.24 -34.68 0 8 -1 97 413.429 6
Mid Mid (pH 6-8) 4.07 13.76 -30.6 2 8 1 100 415.445 6

Activity (Go SEA)

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