UCSF

ZINC10555176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2007 28 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) 2.74 -6.16 -16.59 2 8 0 106 417.468 5
Hi High (pH 8-9.5) 2.74 -5.59 -47.48 1 8 -1 108 416.46 5

Activity (Go SEA)

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