UCSF

ZINC37878006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 0.22 -0.93 -12.23 3 6 0 74 293.367 6
Mid Mid (pH 6-8) 0.22 1.41 -45.25 4 6 1 75 294.375 6

Activity (Go SEA)

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