UCSF

ZINC10357152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2007 32 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) 3.79 2.01 -11.05 0 8 0 77 432.459 4
Mid Mid (pH 6-8) 3.79 2.42 -38.32 1 8 1 78 433.467 4

Activity (Go SEA)

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