UCSF

ZINC35003332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 2.96 8.54 -64.8 0 9 -1 107 496.536 11
Lo Low (pH 4.5-6) 2.96 7.78 -19.57 1 9 0 104 497.544 11

Activity (Go SEA)

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