UCSF

ZINC21637668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 0.24 2.86 -12.24 1 7 0 71 293.371 5
Mid Mid (pH 6-8) 0.24 5.2 -50.56 2 7 1 72 294.379 5

Activity (Go SEA)

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