UCSF

ZINC38539672

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 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) 2.06 4.36 -45 3 2 1 31 239.77 2
Mid Mid (pH 6-8) 2.06 6.59 -120.84 4 2 2 32 240.778 2

Activity (Go SEA)

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