UCSF

ZINC55327567

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 28 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) 2.46 7.95 -8.41 0 6 0 39 386.54 5
Mid Mid (pH 6-8) 2.46 7.99 -34.08 1 6 1 40 387.548 5

Activity (Go SEA)

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