UCSF

ZINC00492045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.98 6.85 -17.76 2 5 0 71 332.787 5
Hi High (pH 8-9.5) 3.98 7.62 -64.2 1 5 -1 74 331.779 5
Hi High (pH 8-9.5) 3.98 7.27 -44.94 1 5 -1 74 331.779 5

Activity (Go SEA)

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