UCSF

ZINC18192948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 31 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) 1.39 6.72 -63.89 0 7 -1 86 418.473 7
Mid Mid (pH 6-8) 1.39 9.05 -75.92 1 7 0 87 419.481 7

Activity (Go SEA)

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