UCSF

ZINC35893740

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 1.68 7.23 -14.19 1 8 0 74 422.533 5
Mid Mid (pH 6-8) 1.68 9.5 -50.36 2 8 1 75 423.541 5

Activity (Go SEA)

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