UCSF

ZINC20745582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 2.89 6.88 -10.9 1 6 0 71 423.27 1
Ref Reference (pH 7) 2.70 9.33 -9.34 1 6 0 67 423.27 1

Activity (Go SEA)

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