UCSF

ZINC06345346

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 19 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) 0.01 5.41 -47.56 1 8 -1 112 258.217 3
Hi High (pH 8-9.5) 0.01 2.86 -49.66 1 8 -1 108 258.217 3
Mid Mid (pH 6-8) -0.18 6.77 -24.68 2 8 0 106 259.225 3
Mid Mid (pH 6-8) -0.18 6.76 -18.94 2 8 0 106 259.225 3

Activity (Go SEA)

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