UCSF

ZINC37030696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.46 5.04 -44.46 4 4 1 70 275.372 5
Mid Mid (pH 6-8) 2.46 4.74 -6.29 3 4 0 68 274.364 5

Activity (Go SEA)

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