UCSF

ZINC35514697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 4.61 10.54 -17.14 2 7 0 84 422.46 6
Lo Low (pH 4.5-6) 4.61 10.89 -32.13 3 7 1 85 423.468 6

Activity (Go SEA)

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