UCSF

ZINC21887391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.71 4.71 -21.48 1 7 0 86 322.371 2
Hi High (pH 8-9.5) 0.78 3.6 -43.71 0 7 -1 92 321.363 2

Activity (Go SEA)

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