UCSF

ZINC34881455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 4.34 6.56 -9.59 2 6 0 82 458.754 3
Hi High (pH 8-9.5) 4.34 7.32 -41 1 6 -1 85 457.746 3
Hi High (pH 8-9.5) 4.34 7.86 -39.63 1 6 -1 85 457.746 3

Activity (Go SEA)

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