UCSF

ZINC55099821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 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) 3.77 10.77 -36.69 1 5 1 43 375.533 8
Hi High (pH 8-9.5) 3.77 9.13 -8.71 0 5 0 42 374.525 8

Activity (Go SEA)

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