UCSF

ZINC63782382

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 22 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) 2.25 4.71 -64.42 2 6 0 82 327.45 8
Mid Mid (pH 6-8) 2.25 4.63 -46.54 3 6 1 80 328.458 8

Activity (Go SEA)

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