UCSF

ZINC43693386

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 29 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) -2.82 -8.51 -52.61 7 11 1 181 408.435 7
Hi High (pH 8-9.5) -2.82 -8.9 -14.46 6 11 0 179 407.427 7
Hi High (pH 8-9.5) -2.82 -8.88 -12.46 6 11 0 179 407.427 7
Mid Mid (pH 6-8) -2.82 -8.53 -58.2 7 11 1 181 408.435 7

Activity (Go SEA)

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