UCSF

ZINC16737457

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.10 12.09 -62.02 0 8 -1 113 479.534 7
Mid Mid (pH 6-8) 4.55 10.76 -29.96 1 8 0 110 480.542 6
Mid Mid (pH 6-8) 3.52 12.1 -21.93 0 8 0 107 480.542 7

Activity (Go SEA)

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