UCSF

ZINC08804326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 15 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) 1.70 2.72 -32.65 1 4 -1 69 239.301 1
Mid Mid (pH 6-8) 1.25 3.9 -13.44 2 4 0 66 240.309 1

Activity (Go SEA)

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