UCSF

ZINC62952799

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 1.43 4.95 -50.01 2 4 1 40 240.371 1
Mid Mid (pH 6-8) 1.43 3.63 -8.37 1 4 0 36 239.363 1

Activity (Go SEA)

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