UCSF

ZINC05884873

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 3.04 8.07 -55.3 0 5 -1 70 370.812 6
Mid Mid (pH 6-8) 2.46 -0.46 -16.12 0 5 0 63 371.82 6
Mid Mid (pH 6-8) 3.49 0.94 -20.73 1 5 0 66 371.82 5

Activity (Go SEA)

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