UCSF

ZINC45687085

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) 2.60 6.36 -34.38 2 3 1 20 276.448 7
Hi High (pH 8-9.5) 2.60 4.83 -2.25 1 3 0 19 275.44 7
Hi High (pH 8-9.5) 2.60 8.83 -113.01 3 3 2 21 277.456 7
Hi High (pH 8-9.5) 2.60 5.83 -32.94 2 3 1 23 276.448 7
Hi High (pH 8-9.5) 2.60 7.29 -38.25 2 3 1 20 276.448 7
Lo Low (pH 4.5-6) 2.60 8.3 -103.93 3 3 2 24 277.456 7
Lo Low (pH 4.5-6) 2.60 10.19 -228.53 4 3 3 25 278.464 7

Activity (Go SEA)

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