UCSF

ZINC37857836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 30 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) 7.09 12.99 -40.78 2 4 1 55 449.398 9
Mid Mid (pH 6-8) 7.09 13.69 -24.18 1 4 0 58 448.39 9

Activity (Go SEA)

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