UCSF

ZINC39286933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 0.99 7.7 -63.49 0 8 -1 121 260.185 3
Mid Mid (pH 6-8) 0.99 6.46 -56.22 1 8 0 124 261.193 3

Activity (Go SEA)

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