UCSF

ZINC44261877

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) -0.52 -2.48 -50.62 3 6 1 87 276.313 3
Hi High (pH 8-9.5) -0.52 -3.93 -10.01 2 6 0 83 275.305 3

Activity (Go SEA)

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