UCSF

ZINC33540575

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 34 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) 3.35 11.63 -55.51 0 8 -1 105 478.55 8
Lo Low (pH 4.5-6) 3.35 10.34 -22.63 1 8 0 102 479.558 8

Activity (Go SEA)

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