UCSF

ZINC18165236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 25 No

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) 4.01 2.85 -30.37 2 8 -1 134 356.339 3
Hi High (pH 8-9.5) 4.47 1.13 -93.75 1 8 -2 137 355.331 3
Mid Mid (pH 6-8) 3.52 2.63 -51.19 2 8 -1 130 356.339 4
Mid Mid (pH 6-8) 4.01 2.06 -15.4 3 8 0 132 357.347 3

Activity (Go SEA)

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