UCSF

ZINC04906479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) 2.99 8.29 -46.12 0 5 -1 70 370.812 6
Mid Mid (pH 6-8) 3.44 -0.45 -27.38 1 5 0 66 371.82 5
Mid Mid (pH 6-8) 2.41 -0.25 -17.42 0 5 0 63 371.82 6

Activity (Go SEA)

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