UCSF

ZINC62566872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 13 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) 0.84 4.23 -44.92 2 3 1 37 183.275 1
Mid Mid (pH 6-8) 0.84 3.07 -7.31 1 3 0 32 182.267 1

Activity (Go SEA)

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