UCSF

ZINC42421472

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 2.41 7.63 -120.82 4 3 2 41 278.44 6
Hi High (pH 8-9.5) 2.41 7.9 -29.82 3 3 1 40 277.432 6
Mid Mid (pH 6-8) 2.41 5.9 -45.33 3 3 1 40 277.432 6

Activity (Go SEA)

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