UCSF

ZINC17300516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 19 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) 0.78 7.46 -24.81 1 7 0 105 262.221 4
Mid Mid (pH 6-8) 2.08 7.04 -32.73 0 7 -1 108 261.213 4

Activity (Go SEA)

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