UCSF

ZINC01669772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 3.33 9.71 -97.99 0 4 -2 80 254.241 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT pending PDSP via PubChem

Activity (Go SEA)

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