UCSF

ZINC13282791

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 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) 1.32 6.05 -55.17 0 10 -1 132 471.515 7
Mid Mid (pH 6-8) 1.32 8.4 -70.3 1 10 0 133 472.523 7

Activity (Go SEA)

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