UCSF

ZINC09458675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 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) 0.91 3.19 -71.67 2 11 -1 165 457.415 10
Mid Mid (pH 6-8) 0.33 3.16 -34.75 2 11 0 159 458.423 10
Mid Mid (pH 6-8) 1.36 2.14 -40.99 3 11 0 162 458.423 9

Activity (Go SEA)

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