UCSF

ZINC40394417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 25 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) 3.17 8.68 -52.61 4 5 1 80 399.268 3
Mid Mid (pH 6-8) 3.17 9.7 -27.28 3 5 0 83 398.26 3

Activity (Go SEA)

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