UCSF

ZINC34941413

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) 4.92 12.38 -58.9 0 6 -1 79 468.529 10
Lo Low (pH 4.5-6) 4.92 11.63 -13.35 1 6 0 76 469.537 10

Activity (Go SEA)

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