UCSF

ZINC34007650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 23 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) 2.87 4.15 -36.79 0 8 -1 113 337.333 6
Lo Low (pH 4.5-6) 2.87 4.11 -12.9 1 8 0 110 338.341 6

Activity (Go SEA)

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