UCSF

ZINC36678737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 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) 1.81 5.36 -48.16 4 4 1 69 231.323 4
Mid Mid (pH 6-8) 1.81 5.8 -88.32 5 4 2 71 232.331 4

Activity (Go SEA)

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