UCSF

ZINC17837520

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 29 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) 3.33 11.13 -57.35 0 5 -1 73 448.296 5
Mid Mid (pH 6-8) 3.33 10.38 -13.16 1 5 0 71 449.304 5

Activity (Go SEA)

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