UCSF

ZINC25264919

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 27 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) 4.00 7.42 -39.63 1 5 -1 70 457.251 3
Mid Mid (pH 6-8) 3.54 8.67 -14.55 2 5 0 67 458.259 3

Activity (Go SEA)

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