UCSF

ZINC70187695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 18 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) 0.36 3.64 -86.63 3 5 0 84 249.314 3
Mid Mid (pH 6-8) 0.36 2.64 -53.41 4 5 1 81 250.322 3
Mid Mid (pH 6-8) 0.36 1.66 -73.93 4 5 1 85 250.322 3

Activity (Go SEA)

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