UCSF

ZINC09373922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 3.00 8.24 -75.55 2 7 0 94 438.524 9
Mid Mid (pH 6-8) 3.44 8.34 -45.39 3 7 1 92 439.532 8
Mid Mid (pH 6-8) 2.41 -0.49 -47.64 2 7 1 88 439.532 9

Activity (Go SEA)

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