UCSF

ZINC15920004

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 3.34 6.76 -60.12 1 5 -1 81 384.839 6
Mid Mid (pH 6-8) 3.78 5.66 -29.78 2 5 0 78 385.847 5
Mid Mid (pH 6-8) 2.76 6.68 -20.87 1 5 0 75 385.847 6

Activity (Go SEA)

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