UCSF

ZINC09909748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 31 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) 3.41 -1.11 -54.38 1 6 1 55 432.935 4
Lo Low (pH 4.5-6) 3.41 -1.07 -130.63 2 6 2 56 433.943 4

Activity (Go SEA)

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