UCSF

ZINC37097022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.88 3.5 -25.76 3 3 1 34 226.388 5
Hi High (pH 8-9.5) 0.88 3.34 -36.08 3 3 1 34 226.388 5
Mid Mid (pH 6-8) 0.88 5.49 -89.7 4 3 2 35 227.396 5
Mid Mid (pH 6-8) 0.88 3.48 -116.44 4 3 2 35 227.396 5

Activity (Go SEA)

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