UCSF

ZINC40190203

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.31 8.7 -13.17 1 6 0 73 331.416 7
Lo Low (pH 4.5-6) 3.31 9.26 -34.43 2 6 1 74 332.424 7

Activity (Go SEA)

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