UCSF

ZINC20309457

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 2.50 5.66 -67.63 1 8 -1 102 451.499 8
Hi High (pH 8-9.5) 2.50 6.69 -134.51 0 8 -2 105 450.491 8
Mid Mid (pH 6-8) 2.50 7.99 -85.03 2 8 0 104 452.507 8

Activity (Go SEA)

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