UCSF

ZINC01532533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 16 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) -3.31 -8.81 -136.53 4 9 -2 163 258.119 3
Mid Mid (pH 6-8) -3.31 -9.97 -46.46 5 9 -1 160 259.127 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.14e+01 g/l DrugBank-experimental

Activity (Go SEA)

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