UCSF

ZINC20219575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 1.02 7.62 -70.65 1 9 0 105 455.511 10
Lo Low (pH 4.5-6) 1.02 6.79 -51.56 2 9 1 103 456.519 10

Activity (Go SEA)

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