UCSF

ZINC20873982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 Yes

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) 4.92 12.34 -50.78 2 3 1 35 366.456 8
Hi High (pH 8-9.5) 4.92 10.92 -7.73 1 3 0 30 365.448 8

Activity (Go SEA)

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