UCSF

ZINC04472818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 24 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) 4.61 6.14 -11.34 2 5 0 75 360.822 3
Hi High (pH 8-9.5) 5.07 4.6 -42.46 1 5 -1 78 359.814 3

Activity (Go SEA)

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