UCSF

ZINC21441806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2008 30 No

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) 2.65 7.4 -74.63 2 9 0 128 432.502 6
Mid Mid (pH 6-8) 2.65 7.33 -58.02 3 9 1 126 433.51 6

Activity (Go SEA)

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