UCSF

ZINC22455434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 24 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) 3.34 10.62 -43.17 1 4 1 34 327.448 9
Hi High (pH 8-9.5) 3.34 10.29 -45.26 1 4 1 34 327.448 9
Hi High (pH 8-9.5) 3.34 8.08 -6.21 0 4 0 33 326.44 9

Activity (Go SEA)

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