UCSF

ZINC43247670

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) 4.28 6.96 -45.06 3 2 1 31 283.505 9
Hi High (pH 8-9.5) 4.28 9.07 -29.79 3 2 1 30 283.505 9
Hi High (pH 8-9.5) 4.28 6.78 -1.84 2 2 0 29 282.497 9
Lo Low (pH 4.5-6) 4.28 9.13 -108 4 2 2 32 284.513 9

Activity (Go SEA)

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