UCSF

ZINC43405070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.78 8.06 -100.09 4 3 2 45 261.413 2
Hi High (pH 8-9.5) 2.78 7.6 -48.27 3 3 1 44 260.405 2
Hi High (pH 8-9.5) 2.78 7.64 -21.74 3 3 1 43 260.405 2

Activity (Go SEA)

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