UCSF

ZINC33820481

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 23 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) -0.50 6.92 -103.32 1 7 -2 135 324.329 10
Lo Low (pH 4.5-6) -0.50 4.95 -55.62 2 7 -1 132 325.337 10

Activity (Go SEA)

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