UCSF

ZINC52292629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 1.90 4.36 -12.36 3 4 0 64 236.344 3
Lo Low (pH 4.5-6) 1.90 4.47 -32.57 4 4 1 65 237.352 3

Activity (Go SEA)

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