UCSF

ZINC44833343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.46 5.35 -7.31 2 4 0 59 279.409 6
Lo Low (pH 4.5-6) 1.46 5.71 -34.18 3 4 1 60 280.417 6

Activity (Go SEA)

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