UCSF

ZINC09470570

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) 2.81 7.75 -62.99 1 7 -1 99 442.447 5
Mid Mid (pH 6-8) 3.25 -2.59 -30.18 2 7 0 96 443.455 4

Activity (Go SEA)

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