UCSF

ZINC18009724

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 28 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) 3.20 9.66 -57.35 0 5 -1 74 376.363 5
Mid Mid (pH 6-8) 2.61 10.4 -20.07 0 5 0 68 377.371 5
Mid Mid (pH 6-8) 3.20 9.73 -11.86 1 5 0 71 377.371 5

Activity (Go SEA)

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