UCSF

ZINC21874790

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 0.95 3.03 -20.25 2 10 0 109 460.579 7
Mid Mid (pH 6-8) 0.95 5.36 -54.31 3 10 1 110 461.587 7

Activity (Go SEA)

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