UCSF

ZINC27898597

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 24 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) 3.91 7.35 -119.71 4 4 2 52 330.472 9
Hi High (pH 8-9.5) 3.91 6.19 -40.4 3 4 1 47 329.464 9
Hi High (pH 8-9.5) 3.91 6.02 -40.66 3 4 1 47 329.464 9
Lo Low (pH 4.5-6) 3.91 8.03 -117.44 4 4 2 52 330.472 9

Activity (Go SEA)

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