UCSF

ZINC08738440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 37 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) 5.43 14.72 -72.74 1 6 0 74 519.041 10
Mid Mid (pH 6-8) 4.85 1.52 -49.13 1 6 1 68 520.049 10

Activity (Go SEA)

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