UCSF

ZINC62274458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 24 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) 3.32 8.68 -9.15 0 4 0 33 330.472 6
Mid Mid (pH 6-8) 3.32 10.92 -42.74 1 4 1 34 331.48 6

Activity (Go SEA)

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