UCSF

ZINC37234134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.70 8.54 -50.46 2 4 1 43 276.404 8
Hi High (pH 8-9.5) 2.70 7.18 -10.01 1 4 0 39 275.396 8
Lo Low (pH 4.5-6) 2.70 8.98 -98.77 3 4 2 44 277.412 8

Activity (Go SEA)

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