UCSF

ZINC36639389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) 2.22 5.13 -41.14 3 6 1 77 331.421 5
Hi High (pH 8-9.5) 2.22 4.07 -12.73 2 6 0 76 330.413 5
Hi High (pH 8-9.5) 2.40 3.42 -32.04 2 6 0 84 330.413 5
Hi High (pH 8-9.5) 2.40 2.3 -49.69 1 6 -1 82 329.405 5

Activity (Go SEA)

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