UCSF

ZINC43263081

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 4.00 5.28 -44.52 3 2 1 31 334.347 5
Hi High (pH 8-9.5) 4.00 6.46 -29.1 3 2 1 30 334.347 5
Hi High (pH 8-9.5) 4.00 4.97 -2.37 2 2 0 29 333.339 5
Lo Low (pH 4.5-6) 4.00 6.77 -115.16 4 2 2 32 335.355 5

Activity (Go SEA)

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