UCSF

ZINC03983305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 5.47 8.43 -9.08 1 4 0 55 338.432 3
Ref Reference (pH 7) 5.47 8.03 -9.05 1 4 0 55 338.432 3
Hi High (pH 8-9.5) 5.47 9.22 -43.12 0 4 -1 57 337.424 3
Hi High (pH 8-9.5) 5.47 8.81 -42.72 0 4 -1 57 337.424 3

Activity (Go SEA)

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