UCSF

ZINC47589955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 23 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) 1.33 4.02 -13.13 2 6 0 72 315.373 8
Lo Low (pH 4.5-6) 1.33 4.49 -44.79 3 6 1 74 316.381 8

Activity (Go SEA)

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