UCSF

ZINC42029368

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 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) 2.72 4.6 -8.41 1 4 0 42 282.428 6
Mid Mid (pH 6-8) 2.72 7.25 -42.83 2 4 1 43 283.436 6

Activity (Go SEA)

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