UCSF

ZINC20998750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 25 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) 3.12 8.5 -35.57 1 4 1 20 346.539 10
Lo Low (pH 4.5-6) 3.12 13.04 -185.72 3 4 3 23 348.555 10
Lo Low (pH 4.5-6) 3.12 10.8 -99.69 2 4 2 21 347.547 10

Activity (Go SEA)

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