UCSF

ZINC03870693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 21 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) -0.56 -4.84 -133.03 2 10 -2 151 313.21 3
Lo Low (pH 4.5-6) -3.90 -4.7 -119.19 3 10 -1 153 314.218 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.35e+00 g/l DrugBank-experimental

Activity (Go SEA)

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