UCSF

ZINC34933803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 4.08 12.65 -74.72 1 9 0 120 481.549 12
Lo Low (pH 4.5-6) 4.08 11.9 -55.38 2 9 1 117 482.557 12

Activity (Go SEA)

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