UCSF

ZINC21298831

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 11 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) 4.38 4.91 -34.07 0 1 -1 23 343.82 0
Mid Mid (pH 6-8) 4.38 4.27 -3.43 1 1 0 20 344.828 0

Activity (Go SEA)

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