UCSF

ZINC37817140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.87 5.2 -42.39 3 4 1 61 250.366 6
Hi High (pH 8-9.5) 0.87 4.85 -6.76 2 4 0 59 249.358 6
Lo Low (pH 4.5-6) 0.87 5.01 -87.04 4 4 2 62 251.374 6

Activity (Go SEA)

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