UCSF

ZINC26145092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 No

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) 2.39 6.07 -16.53 5 10 0 165 363.384 4
Mid Mid (pH 6-8) 1.59 3.9 -63.62 5 10 0 171 363.384 5
Mid Mid (pH 6-8) 1.59 4.16 -53.58 4 10 -1 169 362.376 5
Lo Low (pH 4.5-6) 1.52 5.67 -52.05 6 10 1 164 364.392 5

Activity (Go SEA)

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