UCSF

ZINC45695024

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.83 9.65 -69.74 1 5 0 65 286.416 9
Lo Low (pH 4.5-6) 1.83 7.83 -40.48 2 5 1 62 287.424 9

Activity (Go SEA)

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