UCSF

ZINC16805761

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 33 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) 3.74 9.84 -55.24 0 7 -1 88 450.511 12
Mid Mid (pH 6-8) 4.19 7.89 -27.51 1 7 0 85 451.519 11
Mid Mid (pH 6-8) 3.16 8.92 -20.39 0 7 0 82 451.519 12

Activity (Go SEA)

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