UCSF

ZINC40290977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 3.08 6.37 -11.94 3 4 0 64 278.425 3
Lo Low (pH 4.5-6) 3.08 6.46 -32.69 4 4 1 65 279.433 3

Activity (Go SEA)

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