UCSF

ZINC45663878

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.63 9.29 -103.23 3 5 2 67 287.791 8
Hi High (pH 8-9.5) 2.63 7.93 -37.71 2 5 1 62 286.783 8

Activity (Go SEA)

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