UCSF

ZINC19518488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.27 3.93 -13.59 1 5 0 45 275.352 2
Mid Mid (pH 6-8) 1.27 6.18 -52.88 2 5 1 46 276.36 2

Activity (Go SEA)

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