UCSF

ZINC37857873

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 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) 5.08 10.12 -41.15 2 6 1 73 444.935 7
Mid Mid (pH 6-8) 5.08 10.78 -27.66 1 6 0 76 443.927 7

Activity (Go SEA)

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