UCSF

ZINC21586168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.14 3.39 -48.67 1 7 -1 103 369.473 7
Lo Low (pH 4.5-6) 2.14 3.22 -24.47 2 7 0 101 370.481 7

Activity (Go SEA)

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