UCSF

ZINC55167821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 29 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) 4.68 13.29 -49.32 1 4 1 34 399.53 9
Hi High (pH 8-9.5) 4.68 11.08 -7.41 0 4 0 33 398.522 9
Mid Mid (pH 6-8) 4.68 13.13 -50.47 1 4 1 34 399.53 9

Activity (Go SEA)

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