UCSF

ZINC34952733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 3.98 8.39 -18.86 1 9 0 116 486.594 10
Mid Mid (pH 6-8) 3.98 10.64 -64.17 2 9 1 117 487.602 10

Activity (Go SEA)

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