UCSF

ZINC01024727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 28 Yes

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) 3.64 8.29 -16.3 2 6 0 84 426.807 5
Mid Mid (pH 6-8) 3.71 7.43 -41.91 1 6 -1 90 425.799 5

Activity (Go SEA)

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