UCSF

ZINC45686953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.07 8.4 -97.81 3 3 2 24 279.472 9
Hi High (pH 8-9.5) 3.07 6.71 -32.05 2 3 1 20 278.464 9
Hi High (pH 8-9.5) 3.07 5.94 -40.38 2 3 1 23 278.464 9
Hi High (pH 8-9.5) 3.07 6.83 -33.98 2 3 1 20 278.464 9
Lo Low (pH 4.5-6) 3.07 10.36 -215.08 4 3 3 25 280.48 9

Activity (Go SEA)

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