UCSF

ZINC16712637

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 25 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) 4.42 7.21 -19.53 2 6 0 84 357.797 4
Ref Reference (pH 7) 4.42 7.36 -14.73 2 6 0 84 357.797 4
Hi High (pH 8-9.5) 4.42 8.37 -61.6 1 6 -1 87 356.789 4
Hi High (pH 8-9.5) 4.42 8.21 -65.6 1 6 -1 87 356.789 4

Activity (Go SEA)

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