UCSF

ZINC40379109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 18 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) 1.61 4.9 -41.47 3 4 1 51 248.35 4
Mid Mid (pH 6-8) 1.61 2.69 -9.32 2 4 0 50 247.342 4

Activity (Go SEA)

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