UCSF

ZINC67127019

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 19 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) 2.60 8.33 -37.99 1 3 1 21 274.31 3
Mid Mid (pH 6-8) 2.60 6.17 -4.09 0 3 0 19 273.302 3

Activity (Go SEA)

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