UCSF

ZINC22935838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 3.54 9.03 -45.8 1 5 1 47 369.416 4
Hi High (pH 8-9.5) 3.54 6.55 -11.57 0 5 0 46 368.408 4

Activity (Go SEA)

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