UCSF

ZINC04416595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 11 No

CAS Number: 112710-42-6

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) 3.20 2.16 -6.38 0 1 0 17 152.237 1

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.182 Bitter DB

Activity (Go SEA)

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