UCSF

ZINC21811822

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 3.27 10.61 -44.17 2 7 1 72 427.569 5
Hi High (pH 8-9.5) 3.27 8.02 -13.56 1 7 0 71 426.561 5

Activity (Go SEA)

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