UCSF

ZINC43252905

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.80 2.65 -33.76 3 4 1 49 307.867 9
Hi High (pH 8-9.5) 1.80 1.94 -2.98 2 4 0 48 306.859 9
Lo Low (pH 4.5-6) 1.80 4.48 -101.75 4 4 2 51 308.875 9

Activity (Go SEA)

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