UCSF

ZINC20127000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 2.61 6.85 -34.27 2 2 1 16 239.408 5
Hi High (pH 8-9.5) 2.61 4.33 -2.31 1 2 0 15 238.4 5
Lo Low (pH 4.5-6) 2.61 8.17 -114.03 3 2 2 21 240.416 5

Activity (Go SEA)

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