UCSF

ZINC13816289

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 25 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) 3.05 4.63 -11.54 1 5 0 63 357.431 3
Mid Mid (pH 6-8) 3.05 5.27 -42.69 0 5 -1 66 356.423 3

Activity (Go SEA)

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