UCSF

ZINC42371978

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 0.64 6.63 -40.74 2 4 1 37 254.398 4
Mid Mid (pH 6-8) 0.64 6.43 -120.77 3 4 2 41 255.406 4
Mid Mid (pH 6-8) 0.64 4.38 -46.54 2 4 1 40 254.398 4

Activity (Go SEA)

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