UCSF

ZINC43412174

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.93 7.13 -58.51 2 6 0 74 276.34 5
Hi High (pH 8-9.5) 1.93 4.77 -61.21 1 6 -1 73 275.332 5
Mid Mid (pH 6-8) 1.93 7.57 -75.03 3 6 1 75 277.348 5

Activity (Go SEA)

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