UCSF

ZINC21618026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 2.73 5.79 -10.66 0 6 0 72 368.462 7
Lo Low (pH 4.5-6) 2.73 6.27 -44.64 1 6 1 73 369.47 7

Activity (Go SEA)

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