UCSF

ZINC09237518

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 5.92 13.08 -53.6 0 6 -1 83 499.543 7
Mid Mid (pH 6-8) 6.37 13.06 -19.34 1 6 0 80 500.551 6

Activity (Go SEA)

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