UCSF

ZINC47517955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 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) 3.10 8.42 -12.24 1 4 0 55 343.358 4
Hi High (pH 8-9.5) 3.29 6.61 -45.63 0 4 -1 61 342.35 4

Activity (Go SEA)

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