UCSF

ZINC22918626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 3.90 9.72 -49.85 1 6 1 56 427.908 4
Hi High (pH 8-9.5) 3.90 6.82 -13.31 0 6 0 55 426.9 4
Lo Low (pH 4.5-6) 3.90 9.15 -49.35 1 6 1 56 427.908 4

Activity (Go SEA)

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