UCSF

ZINC09991368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 31 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) 2.15 8.24 -57.07 0 8 -1 105 436.469 6
Mid Mid (pH 6-8) 1.57 0.37 -20.54 0 8 0 98 437.477 6

Activity (Go SEA)

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