UCSF

ZINC04922234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 30 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) 4.04 12.62 -41.89 1 5 1 51 419.574 4
Mid Mid (pH 6-8) 4.04 12.31 -14.14 0 5 0 49 418.566 4

Activity (Go SEA)

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