UCSF

ZINC37867974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2009 31 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) 5.22 14.42 -56.42 0 5 -1 73 411.481 5
Mid Mid (pH 6-8) 5.22 13.33 -42.91 0 5 -1 73 411.481 5

Activity (Go SEA)

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