UCSF

ZINC05446308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 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) 3.39 6.27 -54.83 1 4 -1 69 371.21 3
Mid Mid (pH 6-8) 2.81 -2.65 -9.23 1 4 0 63 372.218 3
Mid Mid (pH 6-8) 3.39 5.44 -13.72 2 4 0 66 372.218 3

Activity (Go SEA)

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