UCSF

ZINC35276567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 28 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) 1.62 3.28 -22.6 3 8 0 102 388.468 5
Hi High (pH 8-9.5) 1.62 4.51 -62.63 2 8 -1 105 387.46 5
Hi High (pH 8-9.5) 1.80 2.2 -62.59 2 8 -1 108 387.46 5

Activity (Go SEA)

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