UCSF

ZINC35819292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 0.10 4.74 -51.71 2 9 1 92 419.55 10
Mid Mid (pH 6-8) 0.10 7 -98.09 3 9 2 93 420.558 10

Activity (Go SEA)

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