UCSF

ZINC37232383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.58 6.07 -50.62 2 4 1 43 234.323 6
Hi High (pH 8-9.5) 1.58 4.71 -10.4 1 4 0 39 233.315 6
Lo Low (pH 4.5-6) 1.58 6.51 -98.68 3 4 2 44 235.331 6

Activity (Go SEA)

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