UCSF

ZINC09209881

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 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) 3.36 10.41 -60.69 0 9 -1 122 506.56 9
Mid Mid (pH 6-8) 2.77 -0.18 -25.05 0 9 0 115 507.568 9

Activity (Go SEA)

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