UCSF

ZINC35111987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 0.45 0.13 -13.81 1 8 0 107 315.351 5
Lo Low (pH 4.5-6) 0.45 2.43 -49.48 2 8 1 108 316.359 5

Activity (Go SEA)

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