UCSF

ZINC37262870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) -0.60 4.19 -114.05 4 6 2 70 284.404 6
Hi High (pH 8-9.5) -0.60 0.83 -15.45 2 6 0 65 282.388 6
Mid Mid (pH 6-8) -0.60 2 -47.73 3 6 1 69 283.396 6
Mid Mid (pH 6-8) -0.60 3.02 -46.73 3 6 1 66 283.396 6

Activity (Go SEA)

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