UCSF

ZINC42914400

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

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) 1.38 2.37 -56.43 3 4 1 65 297.444 4
Mid Mid (pH 6-8) 1.38 4.33 -139.26 4 4 2 66 298.452 4

Activity (Go SEA)

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