UCSF

ZINC59682368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 13 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) 1.19 2.17 -37.74 1 3 1 29 186.275 5
Mid Mid (pH 6-8) 1.19 0.34 -5.36 0 3 0 28 185.267 5

Activity (Go SEA)

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