UCSF

ZINC18220195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 28 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) 2.67 11.64 -119.58 3 5 2 58 399.56 6
Hi High (pH 8-9.5) 2.67 8 -10.62 1 5 0 53 397.544 6
Mid Mid (pH 6-8) 2.67 9.17 -58.97 2 5 1 57 398.552 6

Activity (Go SEA)

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