UCSF

ZINC43967262

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 0.61 3.82 -36.56 2 4 1 38 211.333 6
Hi High (pH 8-9.5) 0.61 2.74 -4.82 1 4 0 33 210.325 6
Lo Low (pH 4.5-6) 0.61 5.74 -115.06 3 4 2 39 212.341 6

Activity (Go SEA)

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