UCSF

ZINC09243458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 2.98 6.94 -65.76 1 9 -1 129 479.49 7
Mid Mid (pH 6-8) 3.42 6.91 -24.54 2 9 0 126 480.498 6
Mid Mid (pH 6-8) 2.39 -1.49 -15.79 1 9 0 123 480.498 7

Activity (Go SEA)

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