UCSF

ZINC40845787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 5.08 3.25 -9.1 3 4 0 70 455.917 2
Hi High (pH 8-9.5) 5.08 4.77 -78.77 1 4 -2 75 453.901 2
Mid Mid (pH 6-8) 5.08 4.02 -36.11 2 4 -1 72 454.909 2
Mid Mid (pH 6-8) 5.08 4 -40.43 2 4 -1 72 454.909 2

Activity (Go SEA)

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