UCSF

ZINC23452009

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2009 31 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) 7.55 15.59 -7.9 0 4 0 38 409.533 4
Mid Mid (pH 6-8) 7.55 15.91 -28.76 1 4 1 40 410.541 4

Activity (Go SEA)

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