UCSF

ZINC46834802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 24 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) 3.78 6.07 -58.29 1 6 -1 95 331.392 6
Lo Low (pH 4.5-6) 3.78 4.09 -21.18 2 6 0 92 332.4 6

Activity (Go SEA)

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