UCSF

ZINC09013465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 5.46 11.96 -57.39 0 4 -1 60 396.894 8
Mid Mid (pH 6-8) 4.87 0.9 -10.75 0 4 0 54 397.902 8
Lo Low (pH 4.5-6) 5.46 11.13 -11.83 1 4 0 58 397.902 8

Activity (Go SEA)

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