UCSF

ZINC05686973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 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) 2.39 7.07 -61.11 0 5 -1 70 322.34 4
Mid Mid (pH 6-8) 2.83 -0.32 -31.64 1 5 0 66 323.348 3
Mid Mid (pH 6-8) 1.80 1.57 -9.8 0 5 0 63 323.348 4

Activity (Go SEA)

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