UCSF

ZINC04095791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 35 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) 3.89 7.62 -52.97 3 7 1 74 467.549 2
Hi High (pH 8-9.5) 3.89 6.52 -17.05 2 7 0 69 466.541 2

Activity (Go SEA)

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