UCSF

ZINC28410299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 28 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) 4.23 12.02 -20.81 1 4 0 46 391.471 6
Lo Low (pH 4.5-6) 4.23 12.43 -33.79 2 4 1 48 392.479 6

Activity (Go SEA)

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