UCSF

ZINC20219873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

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) 3.67 11.58 -66.37 1 10 0 133 493.516 10
Hi High (pH 8-9.5) 3.67 9.27 -56.77 0 10 -1 132 492.508 10
Lo Low (pH 4.5-6) 3.67 10.76 -51.58 2 10 1 130 494.524 10

Activity (Go SEA)

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