UCSF

ZINC42392467

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.96 8.83 -192.29 5 3 3 37 278.464 5
Hi High (pH 8-9.5) 1.96 8.48 -93.91 4 3 2 35 277.456 5
Mid Mid (pH 6-8) 1.96 7.05 -101.61 4 3 2 35 277.456 5

Activity (Go SEA)

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