UCSF

ZINC20390173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 37 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) 4.34 12.69 -77.68 1 7 0 83 500.595 11
Lo Low (pH 4.5-6) 4.34 11.88 -48.61 2 7 1 81 501.603 11

Activity (Go SEA)

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