UCSF

ZINC20090550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 0.00 5.5 -41.62 2 6 1 60 283.396 8
Mid Mid (pH 6-8) 0.00 4.85 -52.41 2 6 1 64 283.396 8

Activity (Go SEA)

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