UCSF

ZINC19884138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.75 3.91 -9.4 1 5 0 53 274.32 6
Mid Mid (pH 6-8) 1.75 4.34 -36.07 2 5 1 54 275.328 6

Activity (Go SEA)

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