UCSF

ZINC21882332

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 4.51 9.92 -109.36 3 8 0 106 452.555 9
Hi High (pH 8-9.5) 4.51 7.69 -74.64 2 8 -1 105 451.547 9

Activity (Go SEA)

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