UCSF

ZINC42953206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.72 7.88 -124.44 4 2 2 32 327.31 5
Hi High (pH 8-9.5) 3.72 7.6 -32.91 3 2 1 30 326.302 5
Mid Mid (pH 6-8) 3.72 6.76 -43.98 3 2 1 31 326.302 5

Activity (Go SEA)

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