UCSF

ZINC45655266

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) 1.93 5.43 -35.4 3 4 1 46 276.404 6
Hi High (pH 8-9.5) 1.93 3.01 -7.46 2 4 0 44 275.396 6
Lo Low (pH 4.5-6) 1.93 4.22 -41.54 3 4 1 49 276.404 6

Activity (Go SEA)

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