UCSF

ZINC19870407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 Yes

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) 3.77 10.11 -51.99 3 9 1 99 421.481 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.40e-02 g/l DrugBank-experimental

Activity (Go SEA)

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