UCSF

ZINC04025021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 22 No

CAS Number: 1093-58-9

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) 3.58 -0.52 -7.61 1 2 0 37 322.876 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.53e-02 g/l DrugBank-Street Drugs

Activity (Go SEA)

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