UCSF

ZINC09462156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 2.71 7.57 -61.71 0 9 -1 122 453.452 7
Mid Mid (pH 6-8) 2.13 7.66 -23.92 0 9 0 116 454.46 7
Mid Mid (pH 6-8) 3.16 6.62 -32.2 1 9 0 119 454.46 6

Activity (Go SEA)

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