UCSF

ZINC48970100

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 2.83 7.64 -126.71 4 2 2 32 262.441 4
Mid Mid (pH 6-8) 2.83 6.72 -46.61 3 2 1 31 261.433 4

Activity (Go SEA)

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