UCSF

ZINC33771517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 29 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) 1.77 7.07 -55.47 0 7 -1 92 393.419 9
Lo Low (pH 4.5-6) 1.77 5.78 -19.99 1 7 0 89 394.427 9

Activity (Go SEA)

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