UCSF

ZINC09327468

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 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) 3.52 7.59 -52.34 1 7 -1 103 455.899 6
Mid Mid (pH 6-8) 3.97 6.69 -25.67 2 7 0 100 456.907 5
Mid Mid (pH 6-8) 2.94 7.66 -18.32 1 7 0 97 456.907 6

Activity (Go SEA)

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