UCSF

ZINC31487256

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 25 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) 4.14 8.25 -16.09 2 5 0 61 365.905 6
Lo Low (pH 4.5-6) 4.14 8.46 -51.87 3 5 1 63 366.913 6

Activity (Go SEA)

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