UCSF

ZINC09471247

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 30 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) 2.52 6.97 -57.78 0 7 -1 88 428.848 6
Mid Mid (pH 6-8) 2.97 -1.54 -25.23 1 7 0 85 429.856 5

Activity (Go SEA)

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