UCSF

ZINC09088898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 34 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) 4.37 11.66 -126.14 0 9 -2 146 456.41 6
Mid Mid (pH 6-8) 3.79 11.84 -65.82 0 9 -1 140 457.418 6
Mid Mid (pH 6-8) 4.82 11.21 -71.3 1 9 -1 144 457.418 5

Activity (Go SEA)

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