UCSF

ZINC35128326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) -1.13 0.48 -44.01 3 6 1 75 213.261 4
Hi High (pH 8-9.5) -1.13 -2.01 -7.77 2 6 0 74 212.253 4

Activity (Go SEA)

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