UCSF

ZINC37037928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.81 0.16 -93.09 4 5 2 48 258.41 6
Hi High (pH 8-9.5) -0.81 -0.23 -35.62 3 5 1 46 257.402 6
Hi High (pH 8-9.5) -0.81 -2.5 -3.45 2 5 0 45 256.394 6
Hi High (pH 8-9.5) -0.81 -2.13 -44.23 3 5 1 47 257.402 6
Mid Mid (pH 6-8) -0.81 0.15 -107.59 4 5 2 48 258.41 6
Lo Low (pH 4.5-6) -0.81 2.43 -171.67 5 5 3 49 259.418 6

Activity (Go SEA)

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