UCSF

ZINC34933734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 5.74 15.3 -68.46 1 6 0 74 533.068 12
Lo Low (pH 4.5-6) 5.74 14.51 -45.41 2 6 1 71 534.076 12

Activity (Go SEA)

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