UCSF

ZINC25254850

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 30 Yes

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) 4.43 9.91 -23.16 1 6 0 73 445.541 8
Mid Mid (pH 6-8) 4.50 9.01 -51.47 0 6 -1 80 444.533 8

Activity (Go SEA)

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