UCSF

ZINC43263028

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) 1.73 1.38 -42.31 5 4 1 74 335.291 8
Hi High (pH 8-9.5) 1.73 1.02 -6.37 4 4 0 72 334.283 8
Hi High (pH 8-9.5) 1.73 3.29 -32.12 5 4 1 74 335.291 8
Lo Low (pH 4.5-6) 1.73 3 -119.91 6 4 2 75 336.299 8

Activity (Go SEA)

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