UCSF

ZINC22845343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 21 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) 2.20 6.16 -17.26 2 5 0 67 301.371 4
Hi High (pH 8-9.5) 2.38 5.08 -47.51 1 5 -1 73 300.363 4

Activity (Go SEA)

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