UCSF

ZINC04368861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 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) 5.33 11.28 -10.35 2 5 0 71 401.853 4
Hi High (pH 8-9.5) 5.40 9.67 -54.8 1 5 -1 77 400.845 4
Hi High (pH 8-9.5) 5.40 9.58 -60.8 1 5 -1 77 400.845 4

Activity (Go SEA)

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