UCSF

ZINC39519362

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 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) 2.69 8.31 -18.39 1 6 0 67 370.497 5
Mid Mid (pH 6-8) 2.69 8.81 -42.67 2 6 1 68 371.505 5

Activity (Go SEA)

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