UCSF

ZINC47628743

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 22 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) 0.68 1.47 -48.22 4 7 1 95 310.374 8
Mid Mid (pH 6-8) 0.68 -0.73 -19.67 3 7 0 94 309.366 8

Activity (Go SEA)

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