UCSF

ZINC20264541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 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) 1.09 2.67 -36.38 2 2 1 20 157.281 2
Lo Low (pH 4.5-6) 1.09 4.62 -108.36 3 2 2 21 158.289 2
Lo Low (pH 4.5-6) 1.09 3.28 -27.85 2 2 1 16 157.281 2

Activity (Go SEA)

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