UCSF

ZINC04266440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 27 Yes

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) 4.69 12.46 -30.13 2 4 1 42 375.521 6
Lo Low (pH 4.5-6) 4.69 13.65 -83.48 3 4 2 43 376.529 6

Activity (Go SEA)

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