UCSF

ZINC08587087

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 32 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) 5.54 14.98 -15.38 0 5 0 47 433.596 10
Mid Mid (pH 6-8) 5.54 15.48 -41.65 1 5 1 49 434.604 10

Activity (Go SEA)

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