UCSF

ZINC33942275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.10 5.86 -11.85 2 5 0 79 426.254 2
Hi High (pH 8-9.5) 3.10 6.32 -48.71 1 5 -1 82 425.246 2
Hi High (pH 8-9.5) 3.10 6.98 -58.31 1 5 -1 82 425.246 2

Activity (Go SEA)

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