UCSF

ZINC43417370

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.23 1.21 -49.78 4 5 1 69 274.429 11
Mid Mid (pH 6-8) 0.23 2.63 -36.56 4 5 1 69 274.429 11

Activity (Go SEA)

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