UCSF

ZINC04524356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) 2.30 2.54 -19.39 4 8 0 120 402.838 7
Hi High (pH 8-9.5) 2.30 3.31 -63.27 3 8 -1 123 401.83 7
Hi High (pH 8-9.5) 2.30 2.98 -48 3 8 -1 123 401.83 7

Activity (Go SEA)

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