UCSF

ZINC03945817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 30 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) 5.53 14.77 -50.26 3 4 1 45 419.618 8
Mid Mid (pH 6-8) 5.53 -2.42 -18.17 2 4 0 43 418.61 8
Mid Mid (pH 6-8) 5.53 14.34 -16.87 2 4 0 44 418.61 8

Activity (Go SEA)

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