UCSF

ZINC38187334

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2010 35 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) 6.51 14.55 -61.02 0 5 -1 73 485.56 5
Lo Low (pH 4.5-6) 6.51 13.81 -15.82 1 5 0 71 486.568 5

Activity (Go SEA)

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