UCSF

ZINC09059676

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 25 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) 4.72 9.92 -19.82 1 5 0 60 356.495 5
Mid Mid (pH 6-8) 5.00 -1.05 -43.46 1 5 1 59 357.503 5

Activity (Go SEA)

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