UCSF

ZINC13436745

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 28 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) -4.59 -2.61 -373.42 2 16 -4 255 464.109 8
Mid Mid (pH 6-8) -4.59 -3.76 -235.92 3 16 -3 253 465.117 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.63e+00 g/l DrugBank-experimental

Activity (Go SEA)

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