UCSF

ZINC19864202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 3.26 5.15 -78.87 2 8 -1 132 408.481 5
Lo Low (pH 4.5-6) 3.26 4.03 -32.47 3 8 0 129 409.489 5

Activity (Go SEA)

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