UCSF

ZINC42671940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 29 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) 3.28 10.65 -46.83 3 5 1 63 400.518 9
Hi High (pH 8-9.5) 3.28 8.39 -11.66 2 5 0 61 399.51 9

Activity (Go SEA)

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