UCSF

ZINC37080900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.15 1.76 -94.77 4 3 2 41 160.261 5
Hi High (pH 8-9.5) -0.15 0.25 -31.64 3 3 1 37 159.253 5
Mid Mid (pH 6-8) -0.15 2.3 -39.97 3 3 1 44 159.253 5

Activity (Go SEA)

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