UCSF

ZINC36322949

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.22 6.92 -54.42 3 5 1 63 375.246 3
Lo Low (pH 4.5-6) 3.22 7.42 -103.33 4 5 2 65 376.254 3

Activity (Go SEA)

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