UCSF

ZINC37803356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.00 4.4 -37.2 3 4 1 61 234.323 5
Hi High (pH 8-9.5) 0.00 4.07 -8.11 2 4 0 59 233.315 5
Lo Low (pH 4.5-6) 0.00 4.34 -100.48 4 4 2 62 235.331 5

Activity (Go SEA)

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