UCSF

ZINC43971747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.64 5.6 -37.68 2 3 1 29 255.426 6
Hi High (pH 8-9.5) 2.64 4.46 -1.6 1 3 0 24 254.418 6
Hi High (pH 8-9.5) 2.64 6.64 -29.99 2 3 1 26 255.426 6

Activity (Go SEA)

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