UCSF

ZINC01484334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 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) 4.25 7.15 -48.51 2 4 -1 81 391.572 4
Lo Low (pH 4.5-6) 4.25 5.17 -8.86 3 4 0 78 392.58 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.73e-02 g/l DrugBank-experimental

Activity (Go SEA)

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